1-(4,4-difluorocyclohexyl)-4-[4-[(Z)-prop-1-enyl]phenyl]benzene

C21H22F2 — CID 70185336

IUPAC1-(4,4-difluorocyclohexyl)-4-[4-[(Z)-prop-1-enyl]phenyl]benzene
SMILESC/C=C\c1ccc(-c2ccc(C3CCC(F)(F)CC3)cc2)cc1
InChIInChI=1S/C21H22F2/c1-2-3-16-4-6-17(7-5-16)18-8-10-19(11-9-18)20-12-14-21(22,23)15-13-20/h2-11,20H,12-15H2,1H3/b3-2-
InChIKeyQVCQECHENDMDJG-IHWYPQMZSA-N
MW312.40 g/mol
LogP6.68
Rot. Bonds3

About 1-(4,4-difluorocyclohexyl)-4-[4-[(Z)-prop-1-enyl]phenyl]benzene

1-(4,4-difluorocyclohexyl)-4-[4-[(Z)-prop-1-enyl]phenyl]benzene (PubChem CID 70185336) has the molecular formula C21H22F2 and a molecular weight of 312.40 g/mol. Its IUPAC name is 1-(4,4-difluorocyclohexyl)-4-[4-[(Z)-prop-1-enyl]phenyl]benzene.

Molecular Properties

Compound Name1-(4,4-difluorocyclohexyl)-4-[4-[(Z)-prop-1-enyl]phenyl]benzene
PubChem CID70185336
Molecular FormulaC21H22F2
Molecular Weight312.40 g/mol
Exact Mass312.17
IUPAC Name1-(4,4-difluorocyclohexyl)-4-[4-[(Z)-prop-1-enyl]phenyl]benzene
SMILESC/C=C\c1ccc(-c2ccc(C3CCC(F)(F)CC3)cc2)cc1
InChIInChI=1S/C21H22F2/c1-2-3-16-4-6-17(7-5-16)18-8-10-19(11-9-18)20-12-14-21(22,23)15-13-20/h2-11,20H,12-15H2,1H3/b3-2-
InChIKeyQVCQECHENDMDJG-IHWYPQMZSA-N
XLogP6.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.40
LogP ≤ 56.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluorocyclohexyl)-4-[4-[(Z)-prop-1-enyl]phenyl]benzene?
The IUPAC name of 1-(4,4-difluorocyclohexyl)-4-[4-[(Z)-prop-1-enyl]phenyl]benzene (CID 70185336) is 1-(4,4-difluorocyclohexyl)-4-[4-[(Z)-prop-1-enyl]phenyl]benzene.
What is the SMILES notation for 1-(4,4-difluorocyclohexyl)-4-[4-[(Z)-prop-1-enyl]phenyl]benzene?
The canonical SMILES for 1-(4,4-difluorocyclohexyl)-4-[4-[(Z)-prop-1-enyl]phenyl]benzene is C/C=C\c1ccc(-c2ccc(C3CCC(F)(F)CC3)cc2)cc1.
What is the InChIKey of 1-(4,4-difluorocyclohexyl)-4-[4-[(Z)-prop-1-enyl]phenyl]benzene?
The InChIKey is QVCQECHENDMDJG-IHWYPQMZSA-N. The full InChI is InChI=1S/C21H22F2/c1-2-3-16-4-6-17(7-5-16)18-8-10-19(11-9-18)20-12-14-21(22,23)15-13-20/h2-11,20H,12-15H2,1H3/b3-2-.
What are the key properties of 1-(4,4-difluorocyclohexyl)-4-[4-[(Z)-prop-1-enyl]phenyl]benzene?
1-(4,4-difluorocyclohexyl)-4-[4-[(Z)-prop-1-enyl]phenyl]benzene has a molecular weight of 312.40 g/mol, XLogP of 6.68, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluorocyclohexyl)-4-[4-[(Z)-prop-1-enyl]phenyl]benzene is sourced from PubChem (CID 70185336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).