1,3-difluoro-1-propylcyclohexane

C9H16F2 — CID 54151474

IUPAC1,3-difluoro-1-propylcyclohexane
SMILESCCCC1(F)CCCC(F)C1
InChIInChI=1S/C9H16F2/c1-2-5-9(11)6-3-4-8(10)7-9/h8H,2-7H2,1H3
InChIKeyFKAYLPIOMACZBU-UHFFFAOYSA-N
MW162.22 g/mol
LogP3.41
Rot. Bonds2

About 1,3-difluoro-1-propylcyclohexane

1,3-difluoro-1-propylcyclohexane (PubChem CID 54151474) has the molecular formula C9H16F2 and a molecular weight of 162.22 g/mol. Its IUPAC name is 1,3-difluoro-1-propylcyclohexane.

Molecular Properties

Compound Name1,3-difluoro-1-propylcyclohexane
PubChem CID54151474
Molecular FormulaC9H16F2
Molecular Weight162.22 g/mol
Exact Mass162.12
IUPAC Name1,3-difluoro-1-propylcyclohexane
SMILESCCCC1(F)CCCC(F)C1
InChIInChI=1S/C9H16F2/c1-2-5-9(11)6-3-4-8(10)7-9/h8H,2-7H2,1H3
InChIKeyFKAYLPIOMACZBU-UHFFFAOYSA-N
XLogP3.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.22
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;trans-(1S,3R)-1-fluoro-3-methyl-1-propylcyclohexane
CID 145106735
(3R)-3-fluoro-3-propylpiperidine
CID 89109872
3-fluoro-3-propylpiperidine
CID 83815245
3-fluoro-3-(3,3,3-trifluoropropyl)cyclohexan-1-amine
CID 112567440
1-propylbicyclo[3.3.1]nonane
CID 23320022
3-fluoro-1-[[3-fluoro-1-(2,2,2-trifluoroethyl)cyclohexyl]disulfanyl]-1-(2,2,2-trifluoroethyl)cyclohexane
CID 87625053
[2-[(1R,3S)-3-fluoro-1-(1-propylcyclohexyl)cyclohexyl]phenyl]boronic acid
CID 66824573
trans-(1S,3R)-3-fluoro-1-methylcyclohexane-1-carbaldehyde
CID 45083526
cis-(1R,3R)-1-propylcyclohexane-1,3-diol
CID 172696211
3-fluoro-1-methylcyclohexane-1-carboxylic acid
CID 84764228
1-fluoro-1-propylcyclopropane;3-fluoro-3-propyloxetane;methane
CID 159605123
cis-(1R,3S)-1-fluoro-3-methyl-1-(2-methylpropyl)cyclohexane
CID 121406278

Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-1-propylcyclohexane?
The IUPAC name of 1,3-difluoro-1-propylcyclohexane (CID 54151474) is 1,3-difluoro-1-propylcyclohexane.
What is the SMILES notation for 1,3-difluoro-1-propylcyclohexane?
The canonical SMILES for 1,3-difluoro-1-propylcyclohexane is CCCC1(F)CCCC(F)C1.
What is the InChIKey of 1,3-difluoro-1-propylcyclohexane?
The InChIKey is FKAYLPIOMACZBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2/c1-2-5-9(11)6-3-4-8(10)7-9/h8H,2-7H2,1H3.
What are the key properties of 1,3-difluoro-1-propylcyclohexane?
1,3-difluoro-1-propylcyclohexane has a molecular weight of 162.22 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoro-1-propylcyclohexane is sourced from PubChem (CID 54151474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).