(1S,2R,6R)-7,7-difluorobicyclo[4.1.0]heptan-2-ol

C7H10F2O — CID 98125549

IUPAC(1S,2R,6R)-7,7-difluorobicyclo[4.1.0]heptan-2-ol
SMILESO[C@@H]1CCC[C@@H]2[C@@H]1C2(F)F
InChIInChI=1S/C7H10F2O/c8-7(9)4-2-1-3-5(10)6(4)7/h4-6,10H,1-3H2/t4-,5-,6+/m1/s1
InChIKeyGHDRQAQSUKXFLI-PBXRRBTRSA-N
MW148.15 g/mol
LogP1.41
Rot. Bonds

About (1S,2R,6R)-7,7-difluorobicyclo[4.1.0]heptan-2-ol

(1S,2R,6R)-7,7-difluorobicyclo[4.1.0]heptan-2-ol (PubChem CID 98125549) has the molecular formula C7H10F2O and a molecular weight of 148.15 g/mol. Its IUPAC name is (1S,2R,6R)-7,7-difluorobicyclo[4.1.0]heptan-2-ol.

Molecular Properties

Compound Name(1S,2R,6R)-7,7-difluorobicyclo[4.1.0]heptan-2-ol
PubChem CID98125549
Molecular FormulaC7H10F2O
Molecular Weight148.15 g/mol
Exact Mass148.07
IUPAC Name(1S,2R,6R)-7,7-difluorobicyclo[4.1.0]heptan-2-ol
SMILESO[C@@H]1CCC[C@@H]2[C@@H]1C2(F)F
InChIInChI=1S/C7H10F2O/c8-7(9)4-2-1-3-5(10)6(4)7/h4-6,10H,1-3H2/t4-,5-,6+/m1/s1
InChIKeyGHDRQAQSUKXFLI-PBXRRBTRSA-N
XLogP1.41
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.15
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R,2R,6S)-7,7,8,8-tetramethylbicyclo[4.2.0]octan-2-ol
CID 13486535
9,9-difluorobicyclo[6.1.0]nonane
CID 12610907
2-bromo-6,6-difluorobicyclo[3.1.0]hexane
CID 155973442
trans-(1S,2S)-2-fluorocyclopentan-1-ol
CID 68682324
trans-(1S,2S)-cyclohexane-1,2-diol;trans-(1R,2R)-cyclohexane-1,2-diol
CID 121492980
1-(2-hydroxycyclopentyl)cyclopropane-1-carbaldehyde
CID 130646380
(1R,4aR,5S,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,5-diol
CID 11907324
4-amino-7,7-difluorobicyclo[4.1.0]heptan-3-ol
CID 130054075
(4S,7aS)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-ol
CID 143298757
ethane;2-methylcyclohexan-1-ol;2-methylcyclopentan-1-ol
CID 157029785
cycloundecane-1,2-diol
CID 67185134
trans-(1S,2S)-cyclooctane-1,2-diol
CID 7273013

Frequently Asked Questions

What is the IUPAC name of (1S,2R,6R)-7,7-difluorobicyclo[4.1.0]heptan-2-ol?
The IUPAC name of (1S,2R,6R)-7,7-difluorobicyclo[4.1.0]heptan-2-ol (CID 98125549) is (1S,2R,6R)-7,7-difluorobicyclo[4.1.0]heptan-2-ol.
What is the SMILES notation for (1S,2R,6R)-7,7-difluorobicyclo[4.1.0]heptan-2-ol?
The canonical SMILES for (1S,2R,6R)-7,7-difluorobicyclo[4.1.0]heptan-2-ol is O[C@@H]1CCC[C@@H]2[C@@H]1C2(F)F.
What is the InChIKey of (1S,2R,6R)-7,7-difluorobicyclo[4.1.0]heptan-2-ol?
The InChIKey is GHDRQAQSUKXFLI-PBXRRBTRSA-N. The full InChI is InChI=1S/C7H10F2O/c8-7(9)4-2-1-3-5(10)6(4)7/h4-6,10H,1-3H2/t4-,5-,6+/m1/s1.
What are the key properties of (1S,2R,6R)-7,7-difluorobicyclo[4.1.0]heptan-2-ol?
(1S,2R,6R)-7,7-difluorobicyclo[4.1.0]heptan-2-ol has a molecular weight of 148.15 g/mol, XLogP of 1.41, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,6R)-7,7-difluorobicyclo[4.1.0]heptan-2-ol is sourced from PubChem (CID 98125549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).