(1R,6S)-2,2-difluorobicyclo[4.1.0]heptane

C7H10F2 — CID 163491628

IUPAC(1R,6S)-2,2-difluorobicyclo[4.1.0]heptane
SMILESFC1(F)CCC[C@H]2C[C@H]21
InChIInChI=1S/C7H10F2/c8-7(9)3-1-2-5-4-6(5)7/h5-6H,1-4H2/t5-,6+/m0/s1
InChIKeyLIPZLDFKVLBEEM-NTSWFWBYSA-N
MW132.15 g/mol
LogP2.44
Rot. Bonds

About (1R,6S)-2,2-difluorobicyclo[4.1.0]heptane

(1R,6S)-2,2-difluorobicyclo[4.1.0]heptane (PubChem CID 163491628) has the molecular formula C7H10F2 and a molecular weight of 132.15 g/mol. Its IUPAC name is (1R,6S)-2,2-difluorobicyclo[4.1.0]heptane.

Molecular Properties

Compound Name(1R,6S)-2,2-difluorobicyclo[4.1.0]heptane
PubChem CID163491628
Molecular FormulaC7H10F2
Molecular Weight132.15 g/mol
Exact Mass132.08
IUPAC Name(1R,6S)-2,2-difluorobicyclo[4.1.0]heptane
SMILESFC1(F)CCC[C@H]2C[C@H]21
InChIInChI=1S/C7H10F2/c8-7(9)3-1-2-5-4-6(5)7/h5-6H,1-4H2/t5-,6+/m0/s1
InChIKeyLIPZLDFKVLBEEM-NTSWFWBYSA-N
XLogP2.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.15
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(3aR,7aS)-7,7-difluoro-1,2,3,3a,4,5,6,7a-octahydroisoindole
CID 129374954
(2R)-2-cyclohexyl-1,1-difluorocyclohexane
CID 125450825
7,7-difluoro-1,2,3,3a,4,5,6,7a-octahydroisoindole;hydrochloride
CID 146049546
spiro[bicyclo[4.1.0]heptane-2,1'-cyclopentane]
CID 140625385
(4aR,8aS)-5,5-difluoro-2,3,4,4a,6,7,8,8a-octahydro-1H-isoquinoline;hydrochloride
CID 155819804
(1R,2S,6R)-2-methylbicyclo[4.1.0]heptan-2-ol
CID 98172819
2-(7,7-difluoro-3,3a,4,5,6,7a-hexahydro-1H-isoindol-2-yl)ethanol
CID 121215379
2-(hydroxymethyl)bicyclo[4.1.0]heptane-2-carboxylic acid
CID 167305094
2-(7,7-difluoro-3,3a,4,5,6,7a-hexahydro-1H-isoindol-2-yl)ethanamine
CID 121201923
(1R,2R,6S)-2-aminobicyclo[4.1.0]heptane-2-carboxylic acid
CID 124709963
(3aS,7aR)-7,7-difluoro-3,3a,4,5,6,7a-hexahydro-1H-isoindole-2-carboximidamide
CID 129495154
spiro[bicyclo[4.1.0]heptane-2,3'-piperidine]
CID 83873409

Frequently Asked Questions

What is the IUPAC name of (1R,6S)-2,2-difluorobicyclo[4.1.0]heptane?
The IUPAC name of (1R,6S)-2,2-difluorobicyclo[4.1.0]heptane (CID 163491628) is (1R,6S)-2,2-difluorobicyclo[4.1.0]heptane.
What is the SMILES notation for (1R,6S)-2,2-difluorobicyclo[4.1.0]heptane?
The canonical SMILES for (1R,6S)-2,2-difluorobicyclo[4.1.0]heptane is FC1(F)CCC[C@H]2C[C@H]21.
What is the InChIKey of (1R,6S)-2,2-difluorobicyclo[4.1.0]heptane?
The InChIKey is LIPZLDFKVLBEEM-NTSWFWBYSA-N. The full InChI is InChI=1S/C7H10F2/c8-7(9)3-1-2-5-4-6(5)7/h5-6H,1-4H2/t5-,6+/m0/s1.
What are the key properties of (1R,6S)-2,2-difluorobicyclo[4.1.0]heptane?
(1R,6S)-2,2-difluorobicyclo[4.1.0]heptane has a molecular weight of 132.15 g/mol, XLogP of 2.44, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6S)-2,2-difluorobicyclo[4.1.0]heptane is sourced from PubChem (CID 163491628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).