1-[4-(3-fluoropropyl)cyclohexyl]-4-[4-[4-[(Z)-prop-1-enyl]cyclohexyl]phenyl]benzene

C30H39F — CID 67676134

IUPAC1-[4-(3-fluoropropyl)cyclohexyl]-4-[4-[4-[(Z)-prop-1-enyl]cyclohexyl]phenyl]benzene
SMILESC/C=C\C1CCC(c2ccc(-c3ccc(C4CCC(CCCF)CC4)cc3)cc2)CC1
InChIInChI=1S/C30H39F/c1-2-4-23-6-10-25(11-7-23)27-14-18-29(19-15-27)30-20-16-28(17-21-30)26-12-8-24(9-13-26)5-3-22-31/h2,4,14-21,23-26H,3,5-13,22H2,1H3/b4-2-
InChIKeyVGFTYXJNBQHSNG-RQOWECAXSA-N
MW418.64 g/mol
LogP9.23
Rot. Bonds7

About 1-[4-(3-fluoropropyl)cyclohexyl]-4-[4-[4-[(Z)-prop-1-enyl]cyclohexyl]phenyl]benzene

1-[4-(3-fluoropropyl)cyclohexyl]-4-[4-[4-[(Z)-prop-1-enyl]cyclohexyl]phenyl]benzene (PubChem CID 67676134) has the molecular formula C30H39F and a molecular weight of 418.64 g/mol. Its IUPAC name is 1-[4-(3-fluoropropyl)cyclohexyl]-4-[4-[4-[(Z)-prop-1-enyl]cyclohexyl]phenyl]benzene.

Molecular Properties

Compound Name1-[4-(3-fluoropropyl)cyclohexyl]-4-[4-[4-[(Z)-prop-1-enyl]cyclohexyl]phenyl]benzene
PubChem CID67676134
Molecular FormulaC30H39F
Molecular Weight418.64 g/mol
Exact Mass418.30
IUPAC Name1-[4-(3-fluoropropyl)cyclohexyl]-4-[4-[4-[(Z)-prop-1-enyl]cyclohexyl]phenyl]benzene
SMILESC/C=C\C1CCC(c2ccc(-c3ccc(C4CCC(CCCF)CC4)cc3)cc2)CC1
InChIInChI=1S/C30H39F/c1-2-4-23-6-10-25(11-7-23)27-14-18-29(19-15-27)30-20-16-28(17-21-30)26-12-8-24(9-13-26)5-3-22-31/h2,4,14-21,23-26H,3,5-13,22H2,1H3/b4-2-
InChIKeyVGFTYXJNBQHSNG-RQOWECAXSA-N
XLogP9.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.64
LogP ≤ 59.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(3-fluoropropyl)-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane
CID 70907603
1-(4-but-3-enylcyclohexyl)-4-(4-methylphenyl)benzene;1-(4-ethenylcyclohexyl)-4-(4-methylphenyl)benzene;1-methyl-4-[4-[4-[(E)-pent-3-enyl]cyclohexyl]phenyl]benzene;1-methyl-4-[4-[4-[(E)-prop-1-enyl]cyclohexyl]phenyl]benzene
CID 161280634
1,3-difluoro-5-[4-[4-[(E)-prop-1-enyl]cyclohexyl]phenyl]-2-(trifluoromethyl)benzene
CID 70820945
1-(2-fluoroethyl)-4-[4-[2-[4-(4-prop-1-enylcyclohexyl)cyclohexyl]ethyl]phenyl]benzene
CID 54416262
1-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-4-methylbenzene;1-[4-(4-ethenylcyclohexyl)cyclohexyl]-4-methylbenzene;1-methyl-4-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]benzene
CID 144806030
2-chloro-1-fluoro-4-[4-[2-[4-[(E)-prop-1-enyl]cyclohexyl]ethyl]cyclohexyl]benzene
CID 67610570
1,2-difluoro-4-[4-[2-[4-(4-prop-1-enylcyclohexyl)cyclohexyl]ethyl]cyclohexyl]benzene
CID 54158717
2-chloro-1-fluoro-4-[4-[4-[(E)-prop-1-enyl]cyclohexyl]phenyl]benzene
CID 19095005
1-(fluoromethyl)-4-[4-[4-[(E)-5-fluoropent-1-enyl]cyclohexyl]phenyl]benzene
CID 19695361
1-chloro-4-[4-[4-(5-fluoropent-1-enyl)cyclohexyl]phenyl]benzene
CID 54385187
1-(4-octylcyclohexyl)-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 20538109
1-(4-hexylcyclohexyl)-4-[4-(4-hexylcyclohexyl)phenyl]benzene
CID 20538420

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-fluoropropyl)cyclohexyl]-4-[4-[4-[(Z)-prop-1-enyl]cyclohexyl]phenyl]benzene?
The IUPAC name of 1-[4-(3-fluoropropyl)cyclohexyl]-4-[4-[4-[(Z)-prop-1-enyl]cyclohexyl]phenyl]benzene (CID 67676134) is 1-[4-(3-fluoropropyl)cyclohexyl]-4-[4-[4-[(Z)-prop-1-enyl]cyclohexyl]phenyl]benzene.
What is the SMILES notation for 1-[4-(3-fluoropropyl)cyclohexyl]-4-[4-[4-[(Z)-prop-1-enyl]cyclohexyl]phenyl]benzene?
The canonical SMILES for 1-[4-(3-fluoropropyl)cyclohexyl]-4-[4-[4-[(Z)-prop-1-enyl]cyclohexyl]phenyl]benzene is C/C=C\C1CCC(c2ccc(-c3ccc(C4CCC(CCCF)CC4)cc3)cc2)CC1.
What is the InChIKey of 1-[4-(3-fluoropropyl)cyclohexyl]-4-[4-[4-[(Z)-prop-1-enyl]cyclohexyl]phenyl]benzene?
The InChIKey is VGFTYXJNBQHSNG-RQOWECAXSA-N. The full InChI is InChI=1S/C30H39F/c1-2-4-23-6-10-25(11-7-23)27-14-18-29(19-15-27)30-20-16-28(17-21-30)26-12-8-24(9-13-26)5-3-22-31/h2,4,14-21,23-26H,3,5-13,22H2,1H3/b4-2-.
What are the key properties of 1-[4-(3-fluoropropyl)cyclohexyl]-4-[4-[4-[(Z)-prop-1-enyl]cyclohexyl]phenyl]benzene?
1-[4-(3-fluoropropyl)cyclohexyl]-4-[4-[4-[(Z)-prop-1-enyl]cyclohexyl]phenyl]benzene has a molecular weight of 418.64 g/mol, XLogP of 9.23, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-fluoropropyl)cyclohexyl]-4-[4-[4-[(Z)-prop-1-enyl]cyclohexyl]phenyl]benzene is sourced from PubChem (CID 67676134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).