1-(3,3-difluorocyclohexyl)-4-(4-prop-1-enylphenyl)benzene

C21H22F2 — CID 151822303

IUPAC1-(3,3-difluorocyclohexyl)-4-(4-prop-1-enylphenyl)benzene
SMILESCC=Cc1ccc(-c2ccc(C3CCCC(F)(F)C3)cc2)cc1
InChIInChI=1S/C21H22F2/c1-2-4-16-6-8-17(9-7-16)18-10-12-19(13-11-18)20-5-3-14-21(22,23)15-20/h2,4,6-13,20H,3,5,14-15H2,1H3
InChIKeySCWRERYEUUGWMV-UHFFFAOYSA-N
MW312.40 g/mol
LogP6.68
Rot. Bonds3

About 1-(3,3-difluorocyclohexyl)-4-(4-prop-1-enylphenyl)benzene

1-(3,3-difluorocyclohexyl)-4-(4-prop-1-enylphenyl)benzene (PubChem CID 151822303) has the molecular formula C21H22F2 and a molecular weight of 312.40 g/mol. Its IUPAC name is 1-(3,3-difluorocyclohexyl)-4-(4-prop-1-enylphenyl)benzene.

Molecular Properties

Compound Name1-(3,3-difluorocyclohexyl)-4-(4-prop-1-enylphenyl)benzene
PubChem CID151822303
Molecular FormulaC21H22F2
Molecular Weight312.40 g/mol
Exact Mass312.17
IUPAC Name1-(3,3-difluorocyclohexyl)-4-(4-prop-1-enylphenyl)benzene
SMILESCC=Cc1ccc(-c2ccc(C3CCCC(F)(F)C3)cc2)cc1
InChIInChI=1S/C21H22F2/c1-2-4-16-6-8-17(9-7-16)18-10-12-19(13-11-18)20-5-3-14-21(22,23)15-20/h2,4,6-13,20H,3,5,14-15H2,1H3
InChIKeySCWRERYEUUGWMV-UHFFFAOYSA-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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Related Compounds

1-(4,4-difluorocyclohexyl)-4-[4-[(Z)-prop-1-enyl]phenyl]benzene
CID 70185336
1-[4-(4,4-difluorocyclohexyl)phenyl]-2,3-difluoro-4-prop-1-enylbenzene
CID 54024865
1-[(1S)-3,3-difluorocyclopentyl]-4-propan-2-ylbenzene
CID 59166669
1-(4,4-difluorocyclohexyl)-4-[4-[(E)-oct-1-enyl]phenyl]benzene
CID 22123874
1-[2-[4-(4,4-difluorocyclohexyl)phenyl]ethynyl]-2-fluoro-4-[(E)-prop-1-enyl]benzene
CID 139730083
1-cyclohexyl-4-[4-(4-cyclopentylphenyl)buta-1,3-dienyl]benzene
CID 173393354
[4-(3,3-difluorocyclopentyl)phenyl]methanol
CID 115027818
1-[(E)-but-1-enyl]-4-[4-(4-fluorocyclohexyl)phenyl]benzene
CID 22123888
5-(3,3-difluorocyclohexyl)-1-methylpyrazole
CID 134224471
1-cyclopentyl-4-(4-cyclopentylphenyl)benzene;hydrogen peroxide
CID 175056737
1-[(E)-prop-1-enyl]-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 59247481
1-(4-fluorocyclohexyl)-4-[4-[(E)-pent-1-enyl]phenyl]benzene
CID 22123950

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluorocyclohexyl)-4-(4-prop-1-enylphenyl)benzene?
The IUPAC name of 1-(3,3-difluorocyclohexyl)-4-(4-prop-1-enylphenyl)benzene (CID 151822303) is 1-(3,3-difluorocyclohexyl)-4-(4-prop-1-enylphenyl)benzene.
What is the SMILES notation for 1-(3,3-difluorocyclohexyl)-4-(4-prop-1-enylphenyl)benzene?
The canonical SMILES for 1-(3,3-difluorocyclohexyl)-4-(4-prop-1-enylphenyl)benzene is CC=Cc1ccc(-c2ccc(C3CCCC(F)(F)C3)cc2)cc1.
What is the InChIKey of 1-(3,3-difluorocyclohexyl)-4-(4-prop-1-enylphenyl)benzene?
The InChIKey is SCWRERYEUUGWMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F2/c1-2-4-16-6-8-17(9-7-16)18-10-12-19(13-11-18)20-5-3-14-21(22,23)15-20/h2,4,6-13,20H,3,5,14-15H2,1H3.
What are the key properties of 1-(3,3-difluorocyclohexyl)-4-(4-prop-1-enylphenyl)benzene?
1-(3,3-difluorocyclohexyl)-4-(4-prop-1-enylphenyl)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-(3,3-difluorocyclohexyl)-4-(4-prop-1-enylphenyl)benzene is sourced from PubChem (CID 151822303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).