3-cyclopropyl-1,1-difluorocyclohexane

C9H14F2 — CID 174758607

IUPAC3-cyclopropyl-1,1-difluorocyclohexane
SMILESFC1(F)CCCC(C2CC2)C1
InChIInChI=1S/C9H14F2/c10-9(11)5-1-2-8(6-9)7-3-4-7/h7-8H,1-6H2
InChIKeyNCLZZCCFBRTFAV-UHFFFAOYSA-N
MW160.21 g/mol
LogP3.22
Rot. Bonds1

About 3-cyclopropyl-1,1-difluorocyclohexane

3-cyclopropyl-1,1-difluorocyclohexane (PubChem CID 174758607) has the molecular formula C9H14F2 and a molecular weight of 160.21 g/mol. Its IUPAC name is 3-cyclopropyl-1,1-difluorocyclohexane.

Molecular Properties

Compound Name3-cyclopropyl-1,1-difluorocyclohexane
PubChem CID174758607
Molecular FormulaC9H14F2
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name3-cyclopropyl-1,1-difluorocyclohexane
SMILESFC1(F)CCCC(C2CC2)C1
InChIInChI=1S/C9H14F2/c10-9(11)5-1-2-8(6-9)7-3-4-7/h7-8H,1-6H2
InChIKeyNCLZZCCFBRTFAV-UHFFFAOYSA-N
XLogP3.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(4aS,8aS)-7,7-difluoro-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene
CID 162534781
6,6-difluoro-1,2,3,3a,4,5,7,7a-octahydroindene
CID 45090704
3-cyclopropyl-1,1-difluorocyclobutane
CID 157034703
(3aS,6aR)-2-cyclohexyl-5,5-difluoro-2,3,3a,4,6,6a-hexahydro-1H-pentalene
CID 178021547
3,3-difluorocyclohexan-1-amine;hydrochloride
CID 71711147
3-cyclopropyl-1-propan-2-ylcyclohexan-1-amine
CID 64595245
(1S)-3,3-difluoro-N-methylcyclohexan-1-amine
CID 177192029
2,2,5,5-tetrafluoro-1,3,3a,4,6,6a-hexahydropentalene
CID 139551105
1-cyclopentyl-3-cyclopropylcyclohexan-1-amine
CID 64595261
10-cyclopropyl-3-azaspiro[5.5]undecane
CID 64623012
4,4,8,8-tetramethyl-1,2,3,5,5a,6,7,9,10,10a-decahydroheptalene
CID 123277009
(1R)-3,3-difluorocycloheptan-1-amine
CID 97055145

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1,1-difluorocyclohexane?
The IUPAC name of 3-cyclopropyl-1,1-difluorocyclohexane (CID 174758607) is 3-cyclopropyl-1,1-difluorocyclohexane.
What is the SMILES notation for 3-cyclopropyl-1,1-difluorocyclohexane?
The canonical SMILES for 3-cyclopropyl-1,1-difluorocyclohexane is FC1(F)CCCC(C2CC2)C1.
What is the InChIKey of 3-cyclopropyl-1,1-difluorocyclohexane?
The InChIKey is NCLZZCCFBRTFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2/c10-9(11)5-1-2-8(6-9)7-3-4-7/h7-8H,1-6H2.
What are the key properties of 3-cyclopropyl-1,1-difluorocyclohexane?
3-cyclopropyl-1,1-difluorocyclohexane has a molecular weight of 160.21 g/mol, XLogP of 3.22, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1,1-difluorocyclohexane is sourced from PubChem (CID 174758607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).