1-(2,2-difluoroethenyl)-4-pentylcyclohexane

C13H22F2 — CID 67813164

IUPAC1-(2,2-difluoroethenyl)-4-pentylcyclohexane
SMILESCCCCCC1CCC(C=C(F)F)CC1
InChIInChI=1S/C13H22F2/c1-2-3-4-5-11-6-8-12(9-7-11)10-13(14)15/h10-12H,2-9H2,1H3
InChIKeyUHFCYYPMEMACOF-UHFFFAOYSA-N
MW216.31 g/mol
LogP5.15
Rot. Bonds5

About 1-(2,2-difluoroethenyl)-4-pentylcyclohexane

1-(2,2-difluoroethenyl)-4-pentylcyclohexane (PubChem CID 67813164) has the molecular formula C13H22F2 and a molecular weight of 216.31 g/mol. Its IUPAC name is 1-(2,2-difluoroethenyl)-4-pentylcyclohexane.

Molecular Properties

Compound Name1-(2,2-difluoroethenyl)-4-pentylcyclohexane
PubChem CID67813164
Molecular FormulaC13H22F2
Molecular Weight216.31 g/mol
Exact Mass216.17
IUPAC Name1-(2,2-difluoroethenyl)-4-pentylcyclohexane
SMILESCCCCCC1CCC(C=C(F)F)CC1
InChIInChI=1S/C13H22F2/c1-2-3-4-5-11-6-8-12(9-7-11)10-13(14)15/h10-12H,2-9H2,1H3
InChIKeyUHFCYYPMEMACOF-UHFFFAOYSA-N
XLogP5.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500216.31
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethenyl)-4-pentylcyclohexane?
The IUPAC name of 1-(2,2-difluoroethenyl)-4-pentylcyclohexane (CID 67813164) is 1-(2,2-difluoroethenyl)-4-pentylcyclohexane.
What is the SMILES notation for 1-(2,2-difluoroethenyl)-4-pentylcyclohexane?
The canonical SMILES for 1-(2,2-difluoroethenyl)-4-pentylcyclohexane is CCCCCC1CCC(C=C(F)F)CC1.
What is the InChIKey of 1-(2,2-difluoroethenyl)-4-pentylcyclohexane?
The InChIKey is UHFCYYPMEMACOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F2/c1-2-3-4-5-11-6-8-12(9-7-11)10-13(14)15/h10-12H,2-9H2,1H3.
What are the key properties of 1-(2,2-difluoroethenyl)-4-pentylcyclohexane?
1-(2,2-difluoroethenyl)-4-pentylcyclohexane has a molecular weight of 216.31 g/mol, XLogP of 5.15, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethenyl)-4-pentylcyclohexane is sourced from PubChem (CID 67813164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).