1,2-difluoro-3-propan-2-ylcyclohexane

C9H16F2 — CID 140573475

IUPAC1,2-difluoro-3-propan-2-ylcyclohexane
SMILESCC(C)C1CCCC(F)C1F
InChIInChI=1S/C9H16F2/c1-6(2)7-4-3-5-8(10)9(7)11/h6-9H,3-5H2,1-2H3
InChIKeyBCXRPIYGILGGEI-UHFFFAOYSA-N
MW162.22 g/mol
LogP3.12
Rot. Bonds1

About 1,2-difluoro-3-propan-2-ylcyclohexane

1,2-difluoro-3-propan-2-ylcyclohexane (PubChem CID 140573475) has the molecular formula C9H16F2 and a molecular weight of 162.22 g/mol. Its IUPAC name is 1,2-difluoro-3-propan-2-ylcyclohexane.

Molecular Properties

Compound Name1,2-difluoro-3-propan-2-ylcyclohexane
PubChem CID140573475
Molecular FormulaC9H16F2
Molecular Weight162.22 g/mol
Exact Mass162.12
IUPAC Name1,2-difluoro-3-propan-2-ylcyclohexane
SMILESCC(C)C1CCCC(F)C1F
InChIInChI=1S/C9H16F2/c1-6(2)7-4-3-5-8(10)9(7)11/h6-9H,3-5H2,1-2H3
InChIKeyBCXRPIYGILGGEI-UHFFFAOYSA-N
XLogP3.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.22
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

trans-(1S,2R)-1-fluoro-2-propan-2-ylcyclopentane
CID 167274571
(1S)-1,2-di(propan-2-yl)cyclopentane
CID 161356354
cis-(1S,2S)-1-fluoro-2-propan-2-ylcyclobutane
CID 153486218
cis-(1S,2S)-1-methyl-2-propan-2-ylcyclopentane
CID 59954464
1-(1-fluoroethyl)-2,3-di(propan-2-yl)cyclohexane
CID 175612345
4-(2-fluorocyclopentyl)-1-methyl-2-propan-2-ylcyclopentane
CID 170059975
trans-(1R,2S)-1-chloro-2-propan-2-ylcyclopentane
CID 172588830
trans-(1R,2S)-2-propan-2-ylcyclohexan-1-amine;hydrochloride
CID 169426294
N-fluoro-2-propan-2-ylcyclohexan-1-amine
CID 142212218
(2S)-N,2-di(propan-2-yl)cyclopentan-1-amine
CID 90381453
(1S,2S,4R,5S)-4,5-difluoro-2-propan-2-ylcyclohexan-1-ol
CID 177300411
trans-(1R,2R)-2-fluoro-N-propan-2-ylcyclopentan-1-amine
CID 126847843

Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-3-propan-2-ylcyclohexane?
The IUPAC name of 1,2-difluoro-3-propan-2-ylcyclohexane (CID 140573475) is 1,2-difluoro-3-propan-2-ylcyclohexane.
What is the SMILES notation for 1,2-difluoro-3-propan-2-ylcyclohexane?
The canonical SMILES for 1,2-difluoro-3-propan-2-ylcyclohexane is CC(C)C1CCCC(F)C1F.
What is the InChIKey of 1,2-difluoro-3-propan-2-ylcyclohexane?
The InChIKey is BCXRPIYGILGGEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2/c1-6(2)7-4-3-5-8(10)9(7)11/h6-9H,3-5H2,1-2H3.
What are the key properties of 1,2-difluoro-3-propan-2-ylcyclohexane?
1,2-difluoro-3-propan-2-ylcyclohexane has a molecular weight of 162.22 g/mol, XLogP of 3.12, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-3-propan-2-ylcyclohexane is sourced from PubChem (CID 140573475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).