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

C25H30F2 — CID 70184930

IUPAC1-(4-fluorocyclohexyl)-4-[2-[4-(2-fluoropent-1-enyl)phenyl]ethyl]benzene
SMILESCCCC(F)=Cc1ccc(CCc2ccc(C3CCC(F)CC3)cc2)cc1
InChIInChI=1S/C25H30F2/c1-2-3-25(27)18-21-8-6-19(7-9-21)4-5-20-10-12-22(13-11-20)23-14-16-24(26)17-15-23/h6-13,18,23-24H,2-5,14-17H2,1H3
InChIKeyFZUZXQGKUWWOGL-UHFFFAOYSA-N
MW368.51 g/mol
LogP7.58
Rot. Bonds7

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

1-(4-fluorocyclohexyl)-4-[2-[4-(2-fluoropent-1-enyl)phenyl]ethyl]benzene (PubChem CID 70184930) has the molecular formula C25H30F2 and a molecular weight of 368.51 g/mol. Its IUPAC name is 1-(4-fluorocyclohexyl)-4-[2-[4-(2-fluoropent-1-enyl)phenyl]ethyl]benzene.

Molecular Properties

Compound Name1-(4-fluorocyclohexyl)-4-[2-[4-(2-fluoropent-1-enyl)phenyl]ethyl]benzene
PubChem CID70184930
Molecular FormulaC25H30F2
Molecular Weight368.51 g/mol
Exact Mass368.23
IUPAC Name1-(4-fluorocyclohexyl)-4-[2-[4-(2-fluoropent-1-enyl)phenyl]ethyl]benzene
SMILESCCCC(F)=Cc1ccc(CCc2ccc(C3CCC(F)CC3)cc2)cc1
InChIInChI=1S/C25H30F2/c1-2-3-25(27)18-21-8-6-19(7-9-21)4-5-20-10-12-22(13-11-20)23-14-16-24(26)17-15-23/h6-13,18,23-24H,2-5,14-17H2,1H3
InChIKeyFZUZXQGKUWWOGL-UHFFFAOYSA-N
XLogP7.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.51
LogP ≤ 57.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(4-fluorocyclohexyl)-4-heptylbenzene
CID 22123877
1-(4-fluorocyclohexyl)-4-(4-pentylphenyl)benzene
CID 22123952
2,6-difluoro-4-[2-[4-[(E)-2-fluoropent-1-enyl]phenyl]ethyl]benzonitrile
CID 22991398
1-(4-fluorocyclohexyl)-4-[4-[(E)-pent-1-enyl]phenyl]benzene
CID 22123950
1-[(E)-prop-1-enyl]-4-[2-[4-(4-propylcyclohexyl)phenyl]ethyl]benzene
CID 22991361
1-[(E)-but-1-enyl]-4-[2-[4-(4-fluorocyclohexyl)phenyl]ethynyl]benzene
CID 139729983
1-methyl-4-[2-[4-(4-methylcyclohexyl)phenyl]ethyl]benzene
CID 20579999
1-[(E)-but-1-enyl]-4-[4-(4-fluorocyclohexyl)phenyl]benzene
CID 22123888
1-ethyl-4-[4-(4-propylphenyl)cyclohexyl]benzene
CID 140788276
1-(2,2-difluoroethenyl)-4-(4-nonylcyclohexyl)benzene
CID 19842787
1-[(E)-1-fluoropent-1-enyl]-4-[2-[4-(4-propylcyclohexyl)phenyl]ethyl]benzene
CID 70030132
acetylene;1-methyl-4-[2-[4-(4-methylcyclohexyl)phenyl]ethyl]benzene
CID 91246286

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorocyclohexyl)-4-[2-[4-(2-fluoropent-1-enyl)phenyl]ethyl]benzene?
The IUPAC name of 1-(4-fluorocyclohexyl)-4-[2-[4-(2-fluoropent-1-enyl)phenyl]ethyl]benzene (CID 70184930) is 1-(4-fluorocyclohexyl)-4-[2-[4-(2-fluoropent-1-enyl)phenyl]ethyl]benzene.
What is the SMILES notation for 1-(4-fluorocyclohexyl)-4-[2-[4-(2-fluoropent-1-enyl)phenyl]ethyl]benzene?
The canonical SMILES for 1-(4-fluorocyclohexyl)-4-[2-[4-(2-fluoropent-1-enyl)phenyl]ethyl]benzene is CCCC(F)=Cc1ccc(CCc2ccc(C3CCC(F)CC3)cc2)cc1.
What is the InChIKey of 1-(4-fluorocyclohexyl)-4-[2-[4-(2-fluoropent-1-enyl)phenyl]ethyl]benzene?
The InChIKey is FZUZXQGKUWWOGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30F2/c1-2-3-25(27)18-21-8-6-19(7-9-21)4-5-20-10-12-22(13-11-20)23-14-16-24(26)17-15-23/h6-13,18,23-24H,2-5,14-17H2,1H3.
What are the key properties of 1-(4-fluorocyclohexyl)-4-[2-[4-(2-fluoropent-1-enyl)phenyl]ethyl]benzene?
1-(4-fluorocyclohexyl)-4-[2-[4-(2-fluoropent-1-enyl)phenyl]ethyl]benzene has a molecular weight of 368.51 g/mol, XLogP of 7.58, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorocyclohexyl)-4-[2-[4-(2-fluoropent-1-enyl)phenyl]ethyl]benzene is sourced from PubChem (CID 70184930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).