1-(fluoromethyl)-4-[4-[4-[(E)-5-fluoropent-1-enyl]cyclohexyl]phenyl]benzene

C24H28F2 — CID 19695361

IUPAC1-(fluoromethyl)-4-[4-[4-[(E)-5-fluoropent-1-enyl]cyclohexyl]phenyl]benzene
SMILESFCCC/C=C/C1CCC(c2ccc(-c3ccc(CF)cc3)cc2)CC1
InChIInChI=1S/C24H28F2/c25-17-3-1-2-4-19-5-9-21(10-6-19)23-13-15-24(16-14-23)22-11-7-20(18-26)8-12-22/h2,4,7-8,11-16,19,21H,1,3,5-6,9-10,17-18H2/b4-2+
InChIKeyTYCXDRJTOCYUCT-DUXPYHPUSA-N
MW354.48 g/mol
LogP7.40
Rot. Bonds7

About 1-(fluoromethyl)-4-[4-[4-[(E)-5-fluoropent-1-enyl]cyclohexyl]phenyl]benzene

1-(fluoromethyl)-4-[4-[4-[(E)-5-fluoropent-1-enyl]cyclohexyl]phenyl]benzene (PubChem CID 19695361) has the molecular formula C24H28F2 and a molecular weight of 354.48 g/mol. Its IUPAC name is 1-(fluoromethyl)-4-[4-[4-[(E)-5-fluoropent-1-enyl]cyclohexyl]phenyl]benzene.

Molecular Properties

Compound Name1-(fluoromethyl)-4-[4-[4-[(E)-5-fluoropent-1-enyl]cyclohexyl]phenyl]benzene
PubChem CID19695361
Molecular FormulaC24H28F2
Molecular Weight354.48 g/mol
Exact Mass354.22
IUPAC Name1-(fluoromethyl)-4-[4-[4-[(E)-5-fluoropent-1-enyl]cyclohexyl]phenyl]benzene
SMILESFCCC/C=C/C1CCC(c2ccc(-c3ccc(CF)cc3)cc2)CC1
InChIInChI=1S/C24H28F2/c25-17-3-1-2-4-19-5-9-21(10-6-19)23-13-15-24(16-14-23)22-11-7-20(18-26)8-12-22/h2,4,7-8,11-16,19,21H,1,3,5-6,9-10,17-18H2/b4-2+
InChIKeyTYCXDRJTOCYUCT-DUXPYHPUSA-N
XLogP7.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.48
LogP ≤ 57.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-4-[4-[4-(5-fluoropent-1-enyl)cyclohexyl]phenyl]benzene
CID 54385187
1-fluoro-4-[4-[4-(4-fluorobut-1-enyl)cyclohexyl]phenyl]benzene
CID 54322321
ethyl-[4-[4-[4-[(E)-5-fluoropent-1-enyl]cyclohexyl]cyclohexyl]phenyl]silane
CID 154332836
1-ethyl-4-[4-[4-[(E)-2-fluoroethenyl]cyclohexyl]phenyl]benzene
CID 19780938
1-[4-(3-fluoropropyl)cyclohexyl]-4-[4-[4-[(Z)-prop-1-enyl]cyclohexyl]phenyl]benzene
CID 67676134
1-[4-[2-[4-[(E)-6-fluorohex-1-enyl]cyclohexyl]ethyl]cyclohexyl]-4-(trifluoromethoxy)benzene
CID 19695491
2-fluoro-4-[4-[4-[(E)-5-fluoropent-1-enyl]cyclohexyl]cyclohexyl]-1-(trifluoromethyl)benzene
CID 19695440
1,2,3-trifluoro-5-[4-[2-[4-[(E)-5-fluoropent-1-enyl]cyclohexyl]ethyl]cyclohexyl]benzene
CID 19695249
1-[4-(4-fluorobut-1-enyl)cyclohexyl]-4-[4-(1-propoxyethyl)phenyl]benzene
CID 67589857
1-[4-(2-fluoroethenyl)cyclohexyl]-4-(4-hexylphenyl)benzene
CID 67859483
1-[4-[(E)-2-fluoroethenyl]cyclohexyl]-4-[4-(methoxymethyl)phenyl]benzene
CID 19780966
2-ethyl-6-[2-[4-[4-[(E)-pent-1-enyl]cyclohexyl]phenyl]ethyl]naphthalene
CID 139862535

Frequently Asked Questions

What is the IUPAC name of 1-(fluoromethyl)-4-[4-[4-[(E)-5-fluoropent-1-enyl]cyclohexyl]phenyl]benzene?
The IUPAC name of 1-(fluoromethyl)-4-[4-[4-[(E)-5-fluoropent-1-enyl]cyclohexyl]phenyl]benzene (CID 19695361) is 1-(fluoromethyl)-4-[4-[4-[(E)-5-fluoropent-1-enyl]cyclohexyl]phenyl]benzene.
What is the SMILES notation for 1-(fluoromethyl)-4-[4-[4-[(E)-5-fluoropent-1-enyl]cyclohexyl]phenyl]benzene?
The canonical SMILES for 1-(fluoromethyl)-4-[4-[4-[(E)-5-fluoropent-1-enyl]cyclohexyl]phenyl]benzene is FCCC/C=C/C1CCC(c2ccc(-c3ccc(CF)cc3)cc2)CC1.
What is the InChIKey of 1-(fluoromethyl)-4-[4-[4-[(E)-5-fluoropent-1-enyl]cyclohexyl]phenyl]benzene?
The InChIKey is TYCXDRJTOCYUCT-DUXPYHPUSA-N. The full InChI is InChI=1S/C24H28F2/c25-17-3-1-2-4-19-5-9-21(10-6-19)23-13-15-24(16-14-23)22-11-7-20(18-26)8-12-22/h2,4,7-8,11-16,19,21H,1,3,5-6,9-10,17-18H2/b4-2+.
What are the key properties of 1-(fluoromethyl)-4-[4-[4-[(E)-5-fluoropent-1-enyl]cyclohexyl]phenyl]benzene?
1-(fluoromethyl)-4-[4-[4-[(E)-5-fluoropent-1-enyl]cyclohexyl]phenyl]benzene has a molecular weight of 354.48 g/mol, XLogP of 7.40, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(fluoromethyl)-4-[4-[4-[(E)-5-fluoropent-1-enyl]cyclohexyl]phenyl]benzene is sourced from PubChem (CID 19695361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).