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

C18H30F2 — CID 134932160

IUPAC1-butyl-4-[4-[(E)-1,2-difluoroethenyl]cyclohexyl]cyclohexane
SMILESCCCCC1CCC(C2CCC(/C(F)=C\F)CC2)CC1
InChIInChI=1S/C18H30F2/c1-2-3-4-14-5-7-15(8-6-14)16-9-11-17(12-10-16)18(20)13-19/h13-17H,2-12H2,1H3/b18-13+
InChIKeyWIFLKBJKWNOFMO-QGOAFFKASA-N
MW284.43 g/mol
LogP6.57
Rot. Bonds5

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

1-butyl-4-[4-[(E)-1,2-difluoroethenyl]cyclohexyl]cyclohexane (PubChem CID 134932160) has the molecular formula C18H30F2 and a molecular weight of 284.43 g/mol. Its IUPAC name is 1-butyl-4-[4-[(E)-1,2-difluoroethenyl]cyclohexyl]cyclohexane.

Molecular Properties

Compound Name1-butyl-4-[4-[(E)-1,2-difluoroethenyl]cyclohexyl]cyclohexane
PubChem CID134932160
Molecular FormulaC18H30F2
Molecular Weight284.43 g/mol
Exact Mass284.23
IUPAC Name1-butyl-4-[4-[(E)-1,2-difluoroethenyl]cyclohexyl]cyclohexane
SMILESCCCCC1CCC(C2CCC(/C(F)=C\F)CC2)CC1
InChIInChI=1S/C18H30F2/c1-2-3-4-14-5-7-15(8-6-14)16-9-11-17(12-10-16)18(20)13-19/h13-17H,2-12H2,1H3/b18-13+
InChIKeyWIFLKBJKWNOFMO-QGOAFFKASA-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-[(E)-1,2-difluoroethenyl]cyclohexyl]cyclohexane?
The IUPAC name of 1-butyl-4-[4-[(E)-1,2-difluoroethenyl]cyclohexyl]cyclohexane (CID 134932160) is 1-butyl-4-[4-[(E)-1,2-difluoroethenyl]cyclohexyl]cyclohexane.
What is the SMILES notation for 1-butyl-4-[4-[(E)-1,2-difluoroethenyl]cyclohexyl]cyclohexane?
The canonical SMILES for 1-butyl-4-[4-[(E)-1,2-difluoroethenyl]cyclohexyl]cyclohexane is CCCCC1CCC(C2CCC(/C(F)=C\F)CC2)CC1.
What is the InChIKey of 1-butyl-4-[4-[(E)-1,2-difluoroethenyl]cyclohexyl]cyclohexane?
The InChIKey is WIFLKBJKWNOFMO-QGOAFFKASA-N. The full InChI is InChI=1S/C18H30F2/c1-2-3-4-14-5-7-15(8-6-14)16-9-11-17(12-10-16)18(20)13-19/h13-17H,2-12H2,1H3/b18-13+.
What are the key properties of 1-butyl-4-[4-[(E)-1,2-difluoroethenyl]cyclohexyl]cyclohexane?
1-butyl-4-[4-[(E)-1,2-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-[(E)-1,2-difluoroethenyl]cyclohexyl]cyclohexane is sourced from PubChem (CID 134932160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).