1-cyclohexyl-4-(3,3-difluoroprop-2-enyl)cyclohexane

C15H24F2 — CID 19842781

IUPAC1-cyclohexyl-4-(3,3-difluoroprop-2-enyl)cyclohexane
SMILESFC(F)=CCC1CCC(C2CCCCC2)CC1
InChIInChI=1S/C15H24F2/c16-15(17)11-8-12-6-9-14(10-7-12)13-4-2-1-3-5-13/h11-14H,1-10H2
InChIKeyOBVQDXJKZYAACW-UHFFFAOYSA-N
MW242.35 g/mol
LogP5.54
Rot. Bonds3

About 1-cyclohexyl-4-(3,3-difluoroprop-2-enyl)cyclohexane

1-cyclohexyl-4-(3,3-difluoroprop-2-enyl)cyclohexane (PubChem CID 19842781) has the molecular formula C15H24F2 and a molecular weight of 242.35 g/mol. Its IUPAC name is 1-cyclohexyl-4-(3,3-difluoroprop-2-enyl)cyclohexane.

Molecular Properties

Compound Name1-cyclohexyl-4-(3,3-difluoroprop-2-enyl)cyclohexane
PubChem CID19842781
Molecular FormulaC15H24F2
Molecular Weight242.35 g/mol
Exact Mass242.18
IUPAC Name1-cyclohexyl-4-(3,3-difluoroprop-2-enyl)cyclohexane
SMILESFC(F)=CCC1CCC(C2CCCCC2)CC1
InChIInChI=1S/C15H24F2/c16-15(17)11-8-12-6-9-14(10-7-12)13-4-2-1-3-5-13/h11-14H,1-10H2
InChIKeyOBVQDXJKZYAACW-UHFFFAOYSA-N
XLogP5.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.35
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-(3,3-difluoroprop-2-enyl)cyclohexane?
The IUPAC name of 1-cyclohexyl-4-(3,3-difluoroprop-2-enyl)cyclohexane (CID 19842781) is 1-cyclohexyl-4-(3,3-difluoroprop-2-enyl)cyclohexane.
What is the SMILES notation for 1-cyclohexyl-4-(3,3-difluoroprop-2-enyl)cyclohexane?
The canonical SMILES for 1-cyclohexyl-4-(3,3-difluoroprop-2-enyl)cyclohexane is FC(F)=CCC1CCC(C2CCCCC2)CC1.
What is the InChIKey of 1-cyclohexyl-4-(3,3-difluoroprop-2-enyl)cyclohexane?
The InChIKey is OBVQDXJKZYAACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F2/c16-15(17)11-8-12-6-9-14(10-7-12)13-4-2-1-3-5-13/h11-14H,1-10H2.
What are the key properties of 1-cyclohexyl-4-(3,3-difluoroprop-2-enyl)cyclohexane?
1-cyclohexyl-4-(3,3-difluoroprop-2-enyl)cyclohexane has a molecular weight of 242.35 g/mol, XLogP of 5.54, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-(3,3-difluoroprop-2-enyl)cyclohexane is sourced from PubChem (CID 19842781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).