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

C23H40F2O — CID 19842902

IUPAC1-(2,2-difluoroethenyl)-4-(4-nonoxycyclohexyl)cyclohexane
SMILESCCCCCCCCCOC1CCC(C2CCC(C=C(F)F)CC2)CC1
InChIInChI=1S/C23H40F2O/c1-2-3-4-5-6-7-8-17-26-22-15-13-21(14-16-22)20-11-9-19(10-12-20)18-23(24)25/h18-22H,2-17H2,1H3
InChIKeyAXJAKNCHHPCLND-UHFFFAOYSA-N
MW370.57 g/mol
LogP7.90
Rot. Bonds11

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

1-(2,2-difluoroethenyl)-4-(4-nonoxycyclohexyl)cyclohexane (PubChem CID 19842902) has the molecular formula C23H40F2O and a molecular weight of 370.57 g/mol. Its IUPAC name is 1-(2,2-difluoroethenyl)-4-(4-nonoxycyclohexyl)cyclohexane.

Molecular Properties

Compound Name1-(2,2-difluoroethenyl)-4-(4-nonoxycyclohexyl)cyclohexane
PubChem CID19842902
Molecular FormulaC23H40F2O
Molecular Weight370.57 g/mol
Exact Mass370.30
IUPAC Name1-(2,2-difluoroethenyl)-4-(4-nonoxycyclohexyl)cyclohexane
SMILESCCCCCCCCCOC1CCC(C2CCC(C=C(F)F)CC2)CC1
InChIInChI=1S/C23H40F2O/c1-2-3-4-5-6-7-8-17-26-22-15-13-21(14-16-22)20-11-9-19(10-12-20)18-23(24)25/h18-22H,2-17H2,1H3
InChIKeyAXJAKNCHHPCLND-UHFFFAOYSA-N
XLogP7.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.57
LogP ≤ 57.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-nonoxycyclohexyl)cyclohexane?
The IUPAC name of 1-(2,2-difluoroethenyl)-4-(4-nonoxycyclohexyl)cyclohexane (CID 19842902) is 1-(2,2-difluoroethenyl)-4-(4-nonoxycyclohexyl)cyclohexane.
What is the SMILES notation for 1-(2,2-difluoroethenyl)-4-(4-nonoxycyclohexyl)cyclohexane?
The canonical SMILES for 1-(2,2-difluoroethenyl)-4-(4-nonoxycyclohexyl)cyclohexane is CCCCCCCCCOC1CCC(C2CCC(C=C(F)F)CC2)CC1.
What is the InChIKey of 1-(2,2-difluoroethenyl)-4-(4-nonoxycyclohexyl)cyclohexane?
The InChIKey is AXJAKNCHHPCLND-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H40F2O/c1-2-3-4-5-6-7-8-17-26-22-15-13-21(14-16-22)20-11-9-19(10-12-20)18-23(24)25/h18-22H,2-17H2,1H3.
What are the key properties of 1-(2,2-difluoroethenyl)-4-(4-nonoxycyclohexyl)cyclohexane?
1-(2,2-difluoroethenyl)-4-(4-nonoxycyclohexyl)cyclohexane has a molecular weight of 370.57 g/mol, XLogP of 7.90, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethenyl)-4-(4-nonoxycyclohexyl)cyclohexane is sourced from PubChem (CID 19842902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).