1-(4,4-difluorobut-3-enyl)-4-(4-propylcyclohexyl)cyclohexane

C19H32F2 — CID 14692528

IUPAC1-(4,4-difluorobut-3-enyl)-4-(4-propylcyclohexyl)cyclohexane
SMILESCCCC1CCC(C2CCC(CCC=C(F)F)CC2)CC1
InChIInChI=1S/C19H32F2/c1-2-4-15-7-11-17(12-8-15)18-13-9-16(10-14-18)5-3-6-19(20)21/h6,15-18H,2-5,7-14H2,1H3
InChIKeyKCHNOQCEUUVOBT-UHFFFAOYSA-N
MW298.46 g/mol
LogP6.96
Rot. Bonds6

About 1-(4,4-difluorobut-3-enyl)-4-(4-propylcyclohexyl)cyclohexane

1-(4,4-difluorobut-3-enyl)-4-(4-propylcyclohexyl)cyclohexane (PubChem CID 14692528) has the molecular formula C19H32F2 and a molecular weight of 298.46 g/mol. Its IUPAC name is 1-(4,4-difluorobut-3-enyl)-4-(4-propylcyclohexyl)cyclohexane.

Molecular Properties

Compound Name1-(4,4-difluorobut-3-enyl)-4-(4-propylcyclohexyl)cyclohexane
PubChem CID14692528
Molecular FormulaC19H32F2
Molecular Weight298.46 g/mol
Exact Mass298.25
IUPAC Name1-(4,4-difluorobut-3-enyl)-4-(4-propylcyclohexyl)cyclohexane
SMILESCCCC1CCC(C2CCC(CCC=C(F)F)CC2)CC1
InChIInChI=1S/C19H32F2/c1-2-4-15-7-11-17(12-8-15)18-13-9-16(10-14-18)5-3-6-19(20)21/h6,15-18H,2-5,7-14H2,1H3
InChIKeyKCHNOQCEUUVOBT-UHFFFAOYSA-N
XLogP6.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.46
LogP ≤ 56.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluorobut-3-enyl)-4-(4-propylcyclohexyl)cyclohexane?
The IUPAC name of 1-(4,4-difluorobut-3-enyl)-4-(4-propylcyclohexyl)cyclohexane (CID 14692528) is 1-(4,4-difluorobut-3-enyl)-4-(4-propylcyclohexyl)cyclohexane.
What is the SMILES notation for 1-(4,4-difluorobut-3-enyl)-4-(4-propylcyclohexyl)cyclohexane?
The canonical SMILES for 1-(4,4-difluorobut-3-enyl)-4-(4-propylcyclohexyl)cyclohexane is CCCC1CCC(C2CCC(CCC=C(F)F)CC2)CC1.
What is the InChIKey of 1-(4,4-difluorobut-3-enyl)-4-(4-propylcyclohexyl)cyclohexane?
The InChIKey is KCHNOQCEUUVOBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32F2/c1-2-4-15-7-11-17(12-8-15)18-13-9-16(10-14-18)5-3-6-19(20)21/h6,15-18H,2-5,7-14H2,1H3.
What are the key properties of 1-(4,4-difluorobut-3-enyl)-4-(4-propylcyclohexyl)cyclohexane?
1-(4,4-difluorobut-3-enyl)-4-(4-propylcyclohexyl)cyclohexane has a molecular weight of 298.46 g/mol, XLogP of 6.96, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluorobut-3-enyl)-4-(4-propylcyclohexyl)cyclohexane is sourced from PubChem (CID 14692528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).