1-butyl-4-[4-[(Z)-2,3-difluoroprop-2-enyl]cyclohexyl]cyclohexane

C19H32F2 — CID 134932161

IUPAC1-butyl-4-[4-[(Z)-2,3-difluoroprop-2-enyl]cyclohexyl]cyclohexane
SMILESCCCCC1CCC(C2CCC(C/C(F)=C/F)CC2)CC1
InChIInChI=1S/C19H32F2/c1-2-3-4-15-5-9-17(10-6-15)18-11-7-16(8-12-18)13-19(21)14-20/h14-18H,2-13H2,1H3/b19-14-
InChIKeyOFZXFSPAGZFIJY-RGEXLXHISA-N
MW298.46 g/mol
LogP6.96
Rot. Bonds6

About 1-butyl-4-[4-[(Z)-2,3-difluoroprop-2-enyl]cyclohexyl]cyclohexane

1-butyl-4-[4-[(Z)-2,3-difluoroprop-2-enyl]cyclohexyl]cyclohexane (PubChem CID 134932161) has the molecular formula C19H32F2 and a molecular weight of 298.46 g/mol. Its IUPAC name is 1-butyl-4-[4-[(Z)-2,3-difluoroprop-2-enyl]cyclohexyl]cyclohexane.

Molecular Properties

Compound Name1-butyl-4-[4-[(Z)-2,3-difluoroprop-2-enyl]cyclohexyl]cyclohexane
PubChem CID134932161
Molecular FormulaC19H32F2
Molecular Weight298.46 g/mol
Exact Mass298.25
IUPAC Name1-butyl-4-[4-[(Z)-2,3-difluoroprop-2-enyl]cyclohexyl]cyclohexane
SMILESCCCCC1CCC(C2CCC(C/C(F)=C/F)CC2)CC1
InChIInChI=1S/C19H32F2/c1-2-3-4-15-5-9-17(10-6-15)18-11-7-16(8-12-18)13-19(21)14-20/h14-18H,2-13H2,1H3/b19-14-
InChIKeyOFZXFSPAGZFIJY-RGEXLXHISA-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-butyl-4-[4-[(Z)-2,3-difluoroprop-2-enyl]cyclohexyl]cyclohexane?
The IUPAC name of 1-butyl-4-[4-[(Z)-2,3-difluoroprop-2-enyl]cyclohexyl]cyclohexane (CID 134932161) is 1-butyl-4-[4-[(Z)-2,3-difluoroprop-2-enyl]cyclohexyl]cyclohexane.
What is the SMILES notation for 1-butyl-4-[4-[(Z)-2,3-difluoroprop-2-enyl]cyclohexyl]cyclohexane?
The canonical SMILES for 1-butyl-4-[4-[(Z)-2,3-difluoroprop-2-enyl]cyclohexyl]cyclohexane is CCCCC1CCC(C2CCC(C/C(F)=C/F)CC2)CC1.
What is the InChIKey of 1-butyl-4-[4-[(Z)-2,3-difluoroprop-2-enyl]cyclohexyl]cyclohexane?
The InChIKey is OFZXFSPAGZFIJY-RGEXLXHISA-N. The full InChI is InChI=1S/C19H32F2/c1-2-3-4-15-5-9-17(10-6-15)18-11-7-16(8-12-18)13-19(21)14-20/h14-18H,2-13H2,1H3/b19-14-.
What are the key properties of 1-butyl-4-[4-[(Z)-2,3-difluoroprop-2-enyl]cyclohexyl]cyclohexane?
1-butyl-4-[4-[(Z)-2,3-difluoroprop-2-enyl]cyclohexyl]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-butyl-4-[4-[(Z)-2,3-difluoroprop-2-enyl]cyclohexyl]cyclohexane is sourced from PubChem (CID 134932161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).