1,3-difluoroprop-2-enylcyclohexane

C9H14F2 — CID 67843314

IUPAC1,3-difluoroprop-2-enylcyclohexane
SMILESFC=CC(F)C1CCCCC1
InChIInChI=1S/C9H14F2/c10-7-6-9(11)8-4-2-1-3-5-8/h6-9H,1-5H2
InChIKeyLVESJOUMIHKBFU-UHFFFAOYSA-N
MW160.21 g/mol
LogP3.39
Rot. Bonds2

About 1,3-difluoroprop-2-enylcyclohexane

1,3-difluoroprop-2-enylcyclohexane (PubChem CID 67843314) has the molecular formula C9H14F2 and a molecular weight of 160.21 g/mol. Its IUPAC name is 1,3-difluoroprop-2-enylcyclohexane.

Molecular Properties

Compound Name1,3-difluoroprop-2-enylcyclohexane
PubChem CID67843314
Molecular FormulaC9H14F2
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name1,3-difluoroprop-2-enylcyclohexane
SMILESFC=CC(F)C1CCCCC1
InChIInChI=1S/C9H14F2/c10-7-6-9(11)8-4-2-1-3-5-8/h6-9H,1-5H2
InChIKeyLVESJOUMIHKBFU-UHFFFAOYSA-N
XLogP3.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,3-difluoroprop-2-enylcyclohexane?
The IUPAC name of 1,3-difluoroprop-2-enylcyclohexane (CID 67843314) is 1,3-difluoroprop-2-enylcyclohexane.
What is the SMILES notation for 1,3-difluoroprop-2-enylcyclohexane?
The canonical SMILES for 1,3-difluoroprop-2-enylcyclohexane is FC=CC(F)C1CCCCC1.
What is the InChIKey of 1,3-difluoroprop-2-enylcyclohexane?
The InChIKey is LVESJOUMIHKBFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2/c10-7-6-9(11)8-4-2-1-3-5-8/h6-9H,1-5H2.
What are the key properties of 1,3-difluoroprop-2-enylcyclohexane?
1,3-difluoroprop-2-enylcyclohexane has a molecular weight of 160.21 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoroprop-2-enylcyclohexane is sourced from PubChem (CID 67843314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).