1-[(E)-1-fluoropent-1-enyl]-4-[2-[4-(4-propylcyclohexyl)phenyl]ethyl]benzene

C28H37F — CID 70030132

IUPAC1-[(E)-1-fluoropent-1-enyl]-4-[2-[4-(4-propylcyclohexyl)phenyl]ethyl]benzene
SMILESCCC/C=C(/F)c1ccc(CCc2ccc(C3CCC(CCC)CC3)cc2)cc1
InChIInChI=1S/C28H37F/c1-3-5-7-28(29)27-20-14-24(15-21-27)9-8-23-12-18-26(19-13-23)25-16-10-22(6-4-2)11-17-25/h7,12-15,18-22,25H,3-6,8-11,16-17H2,1-2H3/b28-7+
InChIKeyVMBBWEWQAOBBGX-WBSLIQCRSA-N
MW392.60 g/mol
LogP8.66
Rot. Bonds9

About 1-[(E)-1-fluoropent-1-enyl]-4-[2-[4-(4-propylcyclohexyl)phenyl]ethyl]benzene

1-[(E)-1-fluoropent-1-enyl]-4-[2-[4-(4-propylcyclohexyl)phenyl]ethyl]benzene (PubChem CID 70030132) has the molecular formula C28H37F and a molecular weight of 392.60 g/mol. Its IUPAC name is 1-[(E)-1-fluoropent-1-enyl]-4-[2-[4-(4-propylcyclohexyl)phenyl]ethyl]benzene.

Molecular Properties

Compound Name1-[(E)-1-fluoropent-1-enyl]-4-[2-[4-(4-propylcyclohexyl)phenyl]ethyl]benzene
PubChem CID70030132
Molecular FormulaC28H37F
Molecular Weight392.60 g/mol
Exact Mass392.29
IUPAC Name1-[(E)-1-fluoropent-1-enyl]-4-[2-[4-(4-propylcyclohexyl)phenyl]ethyl]benzene
SMILESCCC/C=C(/F)c1ccc(CCc2ccc(C3CCC(CCC)CC3)cc2)cc1
InChIInChI=1S/C28H37F/c1-3-5-7-28(29)27-20-14-24(15-21-27)9-8-23-12-18-26(19-13-23)25-16-10-22(6-4-2)11-17-25/h7,12-15,18-22,25H,3-6,8-11,16-17H2,1-2H3/b28-7+
InChIKeyVMBBWEWQAOBBGX-WBSLIQCRSA-N
XLogP8.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.60
LogP ≤ 58.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(4,4-difluorobut-3-enyl)-4-(4-ethylcyclohexyl)benzene;1-(4,4-difluorobut-3-enyl)-4-(4-propylcyclohexyl)benzene
CID 163696676
1-(4-propylcyclohexyl)-4-(1,3,3,3-tetrafluoroprop-1-enyl)benzene
CID 123420497
1-[(E)-1,2-difluorooct-1-enyl]-4-[2-[4-(4-propylcyclohexyl)phenyl]ethyl]benzene
CID 22991563
1-[(Z)-1,2-difluorooct-1-enyl]-4-[2-[4-(4-propylcyclohexyl)phenyl]ethyl]benzene
CID 22941704
1-[(Z)-1,2-difluoro-2-[4-[(E)-pent-1-enyl]phenyl]ethenyl]-4-(4-propylcyclohexyl)benzene
CID 67699851
1-[(E)-prop-1-enyl]-4-[2-[4-(4-propylcyclohexyl)phenyl]ethyl]benzene
CID 22991361
1-nonyl-4-(4-propylcyclohexyl)benzene
CID 20683431
2-amino-2-[2-[4-(4-propylcyclohexyl)phenyl]ethyl]propane-1,3-diol;hydrochloride
CID 56924653
1,7-bis[4-(4-propylcyclohexyl)phenyl]heptan-4-one
CID 70444896
1-[4-(4-fluorobut-3-enyl)cyclohexyl]-4-propylbenzene
CID 54484505
2-chloro-1,3-difluoro-5-[2-[4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]phenyl]ethyl]benzene
CID 54430523
2-fluoro-5-[4-[4-[4-(4-propylphenyl)cyclohexyl]butyl]cyclohexyl]pent-2-enenitrile
CID 54539025

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-1-fluoropent-1-enyl]-4-[2-[4-(4-propylcyclohexyl)phenyl]ethyl]benzene?
The IUPAC name of 1-[(E)-1-fluoropent-1-enyl]-4-[2-[4-(4-propylcyclohexyl)phenyl]ethyl]benzene (CID 70030132) is 1-[(E)-1-fluoropent-1-enyl]-4-[2-[4-(4-propylcyclohexyl)phenyl]ethyl]benzene.
What is the SMILES notation for 1-[(E)-1-fluoropent-1-enyl]-4-[2-[4-(4-propylcyclohexyl)phenyl]ethyl]benzene?
The canonical SMILES for 1-[(E)-1-fluoropent-1-enyl]-4-[2-[4-(4-propylcyclohexyl)phenyl]ethyl]benzene is CCC/C=C(/F)c1ccc(CCc2ccc(C3CCC(CCC)CC3)cc2)cc1.
What is the InChIKey of 1-[(E)-1-fluoropent-1-enyl]-4-[2-[4-(4-propylcyclohexyl)phenyl]ethyl]benzene?
The InChIKey is VMBBWEWQAOBBGX-WBSLIQCRSA-N. The full InChI is InChI=1S/C28H37F/c1-3-5-7-28(29)27-20-14-24(15-21-27)9-8-23-12-18-26(19-13-23)25-16-10-22(6-4-2)11-17-25/h7,12-15,18-22,25H,3-6,8-11,16-17H2,1-2H3/b28-7+.
What are the key properties of 1-[(E)-1-fluoropent-1-enyl]-4-[2-[4-(4-propylcyclohexyl)phenyl]ethyl]benzene?
1-[(E)-1-fluoropent-1-enyl]-4-[2-[4-(4-propylcyclohexyl)phenyl]ethyl]benzene has a molecular weight of 392.60 g/mol, XLogP of 8.66, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-1-fluoropent-1-enyl]-4-[2-[4-(4-propylcyclohexyl)phenyl]ethyl]benzene is sourced from PubChem (CID 70030132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).