1-butyl-4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexane

C18H30F2 — CID 14744733

IUPAC1-butyl-4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexane
SMILESCCCCC1CCC(C2CCC(C=C(F)F)CC2)CC1
InChIInChI=1S/C18H30F2/c1-2-3-4-14-5-9-16(10-6-14)17-11-7-15(8-12-17)13-18(19)20/h13-17H,2-12H2,1H3
InChIKeyJZDBNJZOPQRPBJ-UHFFFAOYSA-N
MW284.43 g/mol
LogP6.57
Rot. Bonds5

About 1-butyl-4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexane

1-butyl-4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexane (PubChem CID 14744733) has the molecular formula C18H30F2 and a molecular weight of 284.43 g/mol. Its IUPAC name is 1-butyl-4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexane.

Molecular Properties

Compound Name1-butyl-4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexane
PubChem CID14744733
Molecular FormulaC18H30F2
Molecular Weight284.43 g/mol
Exact Mass284.23
IUPAC Name1-butyl-4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexane
SMILESCCCCC1CCC(C2CCC(C=C(F)F)CC2)CC1
InChIInChI=1S/C18H30F2/c1-2-3-4-14-5-9-16(10-6-14)17-11-7-15(8-12-17)13-18(19)20/h13-17H,2-12H2,1H3
InChIKeyJZDBNJZOPQRPBJ-UHFFFAOYSA-N
XLogP6.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.43
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexane?
The IUPAC name of 1-butyl-4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexane (CID 14744733) is 1-butyl-4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexane.
What is the SMILES notation for 1-butyl-4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexane?
The canonical SMILES for 1-butyl-4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexane is CCCCC1CCC(C2CCC(C=C(F)F)CC2)CC1.
What is the InChIKey of 1-butyl-4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexane?
The InChIKey is JZDBNJZOPQRPBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30F2/c1-2-3-4-14-5-9-16(10-6-14)17-11-7-15(8-12-17)13-18(19)20/h13-17H,2-12H2,1H3.
What are the key properties of 1-butyl-4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexane?
1-butyl-4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexane has a molecular weight of 284.43 g/mol, XLogP of 6.57, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexane is sourced from PubChem (CID 14744733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).