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CAS 1099656-48-0 6,6-difluorobicyclo[3.1.0]hexan-3-ol molecular structure lightbox
CAS RN: 1099656-48-0

6,6-difluorobicyclo[3.1.0]hexan-3-ol

  • Product code: SSC-011218
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1099656-48-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1099656-48-0 / (1R,5S)-6,6-difluorobicyclo[3.1.0]hexan-3-ol

(1R,3R,5S)-rel-6,6-difluorobicyclo[3.1.0]hexan-3-ol | rel-(1R,3r,5S)-6,6-Difluorobicyclo[3.1.0]hexan-3-ol | (1R,5S)-6,6-difluorobicyclo[3.1.0]hexan-3-ol

Standard CAS: 1099656-48-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1099656-48-0
Multi CAS
Yes
Molecular Formula
C6H8F2O
Molecular Weight
134.120000
Exact Mass
134.054321
SMILES
C1[C@@H]2[C@@H](C2(F)F)CC1O
InChI
InChI=1S/C6H8F2O/c7-6(8)4-1-3(9)2-5(4)6/h3-5,9H,1-2H2/t3?,4-,5+
InChIKey
VNYQQAAMRUPWKK-NVGWPGHNSA-N
Synonyms
(1R,3R,5S)-rel-6,6-difluorobicyclo[3.1.0]hexan-3-ol rel-(1R,3r,5S)-6,6-Difluorobicyclo[3.1.0]hexan-3-ol (1R,5S)-6,6-difluorobicyclo[3.1.0]hexan-3-ol MFCD22548275 MFCD29111250

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
27.17
TPSA
20.23

LogP / Solubility

WLOGP
1.02
MLOGP
0.89
XLogP3
1.1
Consensus LogP
1
Log S (ESOL)
-1.32
Class (ESOL)
Soluble
Log S (Ali)
-1.4
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.38
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.81

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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