1,2-difluoro-4-[4-[4-[(E)-2-fluoroethenyl]cyclohexyl]phenyl]benzene

C20H19F3 — CID 19798866

IUPAC1,2-difluoro-4-[4-[4-[(E)-2-fluoroethenyl]cyclohexyl]phenyl]benzene
SMILESF/C=C/C1CCC(c2ccc(-c3ccc(F)c(F)c3)cc2)CC1
InChIInChI=1S/C20H19F3/c21-12-11-14-1-3-15(4-2-14)16-5-7-17(8-6-16)18-9-10-19(22)20(23)13-18/h5-15H,1-4H2/b12-11+
InChIKeyYMGVZXCNHJEAHI-VAWYXSNFSA-N
MW316.37 g/mol
LogP6.39
Rot. Bonds3

About 1,2-difluoro-4-[4-[4-[(E)-2-fluoroethenyl]cyclohexyl]phenyl]benzene

1,2-difluoro-4-[4-[4-[(E)-2-fluoroethenyl]cyclohexyl]phenyl]benzene (PubChem CID 19798866) has the molecular formula C20H19F3 and a molecular weight of 316.37 g/mol. Its IUPAC name is 1,2-difluoro-4-[4-[4-[(E)-2-fluoroethenyl]cyclohexyl]phenyl]benzene.

Molecular Properties

Compound Name1,2-difluoro-4-[4-[4-[(E)-2-fluoroethenyl]cyclohexyl]phenyl]benzene
PubChem CID19798866
Molecular FormulaC20H19F3
Molecular Weight316.37 g/mol
Exact Mass316.14
IUPAC Name1,2-difluoro-4-[4-[4-[(E)-2-fluoroethenyl]cyclohexyl]phenyl]benzene
SMILESF/C=C/C1CCC(c2ccc(-c3ccc(F)c(F)c3)cc2)CC1
InChIInChI=1S/C20H19F3/c21-12-11-14-1-3-15(4-2-14)16-5-7-17(8-6-16)18-9-10-19(22)20(23)13-18/h5-15H,1-4H2/b12-11+
InChIKeyYMGVZXCNHJEAHI-VAWYXSNFSA-N
XLogP6.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.37
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-4-[4-[4-[(E)-2-fluoroethenyl]cyclohexyl]phenyl]benzene?
The IUPAC name of 1,2-difluoro-4-[4-[4-[(E)-2-fluoroethenyl]cyclohexyl]phenyl]benzene (CID 19798866) is 1,2-difluoro-4-[4-[4-[(E)-2-fluoroethenyl]cyclohexyl]phenyl]benzene.
What is the SMILES notation for 1,2-difluoro-4-[4-[4-[(E)-2-fluoroethenyl]cyclohexyl]phenyl]benzene?
The canonical SMILES for 1,2-difluoro-4-[4-[4-[(E)-2-fluoroethenyl]cyclohexyl]phenyl]benzene is F/C=C/C1CCC(c2ccc(-c3ccc(F)c(F)c3)cc2)CC1.
What is the InChIKey of 1,2-difluoro-4-[4-[4-[(E)-2-fluoroethenyl]cyclohexyl]phenyl]benzene?
The InChIKey is YMGVZXCNHJEAHI-VAWYXSNFSA-N. The full InChI is InChI=1S/C20H19F3/c21-12-11-14-1-3-15(4-2-14)16-5-7-17(8-6-16)18-9-10-19(22)20(23)13-18/h5-15H,1-4H2/b12-11+.
What are the key properties of 1,2-difluoro-4-[4-[4-[(E)-2-fluoroethenyl]cyclohexyl]phenyl]benzene?
1,2-difluoro-4-[4-[4-[(E)-2-fluoroethenyl]cyclohexyl]phenyl]benzene has a molecular weight of 316.37 g/mol, XLogP of 6.39, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-4-[4-[4-[(E)-2-fluoroethenyl]cyclohexyl]phenyl]benzene is sourced from PubChem (CID 19798866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).