2-fluoro-4-[4-[2-[4-[(E)-5-fluoropent-3-enyl]cyclohexyl]ethyl]phenyl]-1-(trifluoromethyl)benzene

C26H29F5 — CID 19695475

IUPAC2-fluoro-4-[4-[2-[4-[(E)-5-fluoropent-3-enyl]cyclohexyl]ethyl]phenyl]-1-(trifluoromethyl)benzene
SMILESFC/C=C/CCC1CCC(CCc2ccc(-c3ccc(C(F)(F)F)c(F)c3)cc2)CC1
InChIInChI=1S/C26H29F5/c27-17-3-1-2-4-19-5-7-20(8-6-19)9-10-21-11-13-22(14-12-21)23-15-16-24(25(28)18-23)26(29,30)31/h1,3,11-16,18-20H,2,4-10,17H2/b3-1+
InChIKeyIUJHBTFBJDWJAM-HNQUOIGGSA-N
MW436.51 g/mol
LogP8.56
Rot. Bonds8

About 2-fluoro-4-[4-[2-[4-[(E)-5-fluoropent-3-enyl]cyclohexyl]ethyl]phenyl]-1-(trifluoromethyl)benzene

2-fluoro-4-[4-[2-[4-[(E)-5-fluoropent-3-enyl]cyclohexyl]ethyl]phenyl]-1-(trifluoromethyl)benzene (PubChem CID 19695475) has the molecular formula C26H29F5 and a molecular weight of 436.51 g/mol. Its IUPAC name is 2-fluoro-4-[4-[2-[4-[(E)-5-fluoropent-3-enyl]cyclohexyl]ethyl]phenyl]-1-(trifluoromethyl)benzene.

Molecular Properties

Compound Name2-fluoro-4-[4-[2-[4-[(E)-5-fluoropent-3-enyl]cyclohexyl]ethyl]phenyl]-1-(trifluoromethyl)benzene
PubChem CID19695475
Molecular FormulaC26H29F5
Molecular Weight436.51 g/mol
Exact Mass436.22
IUPAC Name2-fluoro-4-[4-[2-[4-[(E)-5-fluoropent-3-enyl]cyclohexyl]ethyl]phenyl]-1-(trifluoromethyl)benzene
SMILESFC/C=C/CCC1CCC(CCc2ccc(-c3ccc(C(F)(F)F)c(F)c3)cc2)CC1
InChIInChI=1S/C26H29F5/c27-17-3-1-2-4-19-5-7-20(8-6-19)9-10-21-11-13-22(14-12-21)23-15-16-24(25(28)18-23)26(29,30)31/h1,3,11-16,18-20H,2,4-10,17H2/b3-1+
InChIKeyIUJHBTFBJDWJAM-HNQUOIGGSA-N
XLogP8.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.51
LogP ≤ 58.56
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

2-fluoro-4-[4-[2-[4-[(E)-4-fluorobut-1-enyl]cyclohexyl]ethyl]phenyl]-1-(trifluoromethyl)benzene
CID 19695183
2-fluoro-4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]-1-(trifluoromethyl)benzene
CID 20654453
4-[4-[2-(4-butylcyclohexyl)ethyl]phenyl]-2-fluoro-1-(trifluoromethyl)benzene
CID 22437537
4-(4-but-3-enylphenyl)-2-fluoro-1-(trifluoromethyl)benzene
CID 139764150
4-[2-[4-(5-fluoropent-3-enyl)cyclohexyl]ethyl]benzonitrile
CID 54111541
1-[2-[4-(6-fluorohex-3-enyl)cyclohexyl]ethyl]-4-[4-(2-methoxyethyl)phenyl]benzene
CID 54002608
4-[4-[2-(4-ethylcyclohexyl)ethyl]phenyl]-1,2-difluorobenzene
CID 14993447
1-[difluoro(trifluoromethoxy)methyl]-2-fluoro-4-[4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]phenyl]benzene
CID 90180053
1-(2-cyclopropylethyl)-4-(trifluoromethyl)benzene
CID 160836362
1-[2-[4-(7-fluorohept-4-enyl)cyclohexyl]ethyl]-4-(4-methylphenyl)benzene
CID 54557807
2-fluoro-1-iodo-4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]benzene;2-fluoro-4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]-1-(trifluoromethyl)benzene;methyl 2,2-difluoro-2-fluorosulfonylacetate
CID 54275569
1-[2-(4-methylcyclohexyl)ethyl]-4-[4-(trifluoromethyl)phenyl]benzene
CID 22886828

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[4-[2-[4-[(E)-5-fluoropent-3-enyl]cyclohexyl]ethyl]phenyl]-1-(trifluoromethyl)benzene?
The IUPAC name of 2-fluoro-4-[4-[2-[4-[(E)-5-fluoropent-3-enyl]cyclohexyl]ethyl]phenyl]-1-(trifluoromethyl)benzene (CID 19695475) is 2-fluoro-4-[4-[2-[4-[(E)-5-fluoropent-3-enyl]cyclohexyl]ethyl]phenyl]-1-(trifluoromethyl)benzene.
What is the SMILES notation for 2-fluoro-4-[4-[2-[4-[(E)-5-fluoropent-3-enyl]cyclohexyl]ethyl]phenyl]-1-(trifluoromethyl)benzene?
The canonical SMILES for 2-fluoro-4-[4-[2-[4-[(E)-5-fluoropent-3-enyl]cyclohexyl]ethyl]phenyl]-1-(trifluoromethyl)benzene is FC/C=C/CCC1CCC(CCc2ccc(-c3ccc(C(F)(F)F)c(F)c3)cc2)CC1.
What is the InChIKey of 2-fluoro-4-[4-[2-[4-[(E)-5-fluoropent-3-enyl]cyclohexyl]ethyl]phenyl]-1-(trifluoromethyl)benzene?
The InChIKey is IUJHBTFBJDWJAM-HNQUOIGGSA-N. The full InChI is InChI=1S/C26H29F5/c27-17-3-1-2-4-19-5-7-20(8-6-19)9-10-21-11-13-22(14-12-21)23-15-16-24(25(28)18-23)26(29,30)31/h1,3,11-16,18-20H,2,4-10,17H2/b3-1+.
What are the key properties of 2-fluoro-4-[4-[2-[4-[(E)-5-fluoropent-3-enyl]cyclohexyl]ethyl]phenyl]-1-(trifluoromethyl)benzene?
2-fluoro-4-[4-[2-[4-[(E)-5-fluoropent-3-enyl]cyclohexyl]ethyl]phenyl]-1-(trifluoromethyl)benzene has a molecular weight of 436.51 g/mol, XLogP of 8.56, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[4-[2-[4-[(E)-5-fluoropent-3-enyl]cyclohexyl]ethyl]phenyl]-1-(trifluoromethyl)benzene is sourced from PubChem (CID 19695475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).