1-(2,2-difluoroethenyl)-4-(4-nonylcyclohexyl)cyclohexane

C23H40F2 — CID 19842761

IUPAC1-(2,2-difluoroethenyl)-4-(4-nonylcyclohexyl)cyclohexane
SMILESCCCCCCCCCC1CCC(C2CCC(C=C(F)F)CC2)CC1
InChIInChI=1S/C23H40F2/c1-2-3-4-5-6-7-8-9-19-10-14-21(15-11-19)22-16-12-20(13-17-22)18-23(24)25/h18-22H,2-17H2,1H3
InChIKeyUJDKWLPCWFMPMO-UHFFFAOYSA-N
MW354.57 g/mol
LogP8.52
Rot. Bonds10

About 1-(2,2-difluoroethenyl)-4-(4-nonylcyclohexyl)cyclohexane

1-(2,2-difluoroethenyl)-4-(4-nonylcyclohexyl)cyclohexane (PubChem CID 19842761) has the molecular formula C23H40F2 and a molecular weight of 354.57 g/mol. Its IUPAC name is 1-(2,2-difluoroethenyl)-4-(4-nonylcyclohexyl)cyclohexane.

Molecular Properties

Compound Name1-(2,2-difluoroethenyl)-4-(4-nonylcyclohexyl)cyclohexane
PubChem CID19842761
Molecular FormulaC23H40F2
Molecular Weight354.57 g/mol
Exact Mass354.31
IUPAC Name1-(2,2-difluoroethenyl)-4-(4-nonylcyclohexyl)cyclohexane
SMILESCCCCCCCCCC1CCC(C2CCC(C=C(F)F)CC2)CC1
InChIInChI=1S/C23H40F2/c1-2-3-4-5-6-7-8-9-19-10-14-21(15-11-19)22-16-12-20(13-17-22)18-23(24)25/h18-22H,2-17H2,1H3
InChIKeyUJDKWLPCWFMPMO-UHFFFAOYSA-N
XLogP8.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.57
LogP ≤ 58.52
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-(4-nonylcyclohexyl)cyclohexane?
The IUPAC name of 1-(2,2-difluoroethenyl)-4-(4-nonylcyclohexyl)cyclohexane (CID 19842761) is 1-(2,2-difluoroethenyl)-4-(4-nonylcyclohexyl)cyclohexane.
What is the SMILES notation for 1-(2,2-difluoroethenyl)-4-(4-nonylcyclohexyl)cyclohexane?
The canonical SMILES for 1-(2,2-difluoroethenyl)-4-(4-nonylcyclohexyl)cyclohexane is CCCCCCCCCC1CCC(C2CCC(C=C(F)F)CC2)CC1.
What is the InChIKey of 1-(2,2-difluoroethenyl)-4-(4-nonylcyclohexyl)cyclohexane?
The InChIKey is UJDKWLPCWFMPMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H40F2/c1-2-3-4-5-6-7-8-9-19-10-14-21(15-11-19)22-16-12-20(13-17-22)18-23(24)25/h18-22H,2-17H2,1H3.
What are the key properties of 1-(2,2-difluoroethenyl)-4-(4-nonylcyclohexyl)cyclohexane?
1-(2,2-difluoroethenyl)-4-(4-nonylcyclohexyl)cyclohexane has a molecular weight of 354.57 g/mol, XLogP of 8.52, 10 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-(4-nonylcyclohexyl)cyclohexane is sourced from PubChem (CID 19842761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).