1-(4-ethylphenyl)-2-fluoro-4-[2-(4-pentylcyclohexyl)propyl]benzene

C28H39F — CID 139708745

IUPAC1-(4-ethylphenyl)-2-fluoro-4-[2-(4-pentylcyclohexyl)propyl]benzene
SMILESCCCCCC1CCC(C(C)Cc2ccc(-c3ccc(CC)cc3)c(F)c2)CC1
InChIInChI=1S/C28H39F/c1-4-6-7-8-23-11-14-25(15-12-23)21(3)19-24-13-18-27(28(29)20-24)26-16-9-22(5-2)10-17-26/h9-10,13,16-18,20-21,23,25H,4-8,11-12,14-15,19H2,1-3H3
InChIKeySOFHOQFNRUGNIC-UHFFFAOYSA-N
MW394.62 g/mol
LogP8.62
Rot. Bonds9

About 1-(4-ethylphenyl)-2-fluoro-4-[2-(4-pentylcyclohexyl)propyl]benzene

1-(4-ethylphenyl)-2-fluoro-4-[2-(4-pentylcyclohexyl)propyl]benzene (PubChem CID 139708745) has the molecular formula C28H39F and a molecular weight of 394.62 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-2-fluoro-4-[2-(4-pentylcyclohexyl)propyl]benzene.

Molecular Properties

Compound Name1-(4-ethylphenyl)-2-fluoro-4-[2-(4-pentylcyclohexyl)propyl]benzene
PubChem CID139708745
Molecular FormulaC28H39F
Molecular Weight394.62 g/mol
Exact Mass394.30
IUPAC Name1-(4-ethylphenyl)-2-fluoro-4-[2-(4-pentylcyclohexyl)propyl]benzene
SMILESCCCCCC1CCC(C(C)Cc2ccc(-c3ccc(CC)cc3)c(F)c2)CC1
InChIInChI=1S/C28H39F/c1-4-6-7-8-23-11-14-25(15-12-23)21(3)19-24-13-18-27(28(29)20-24)26-16-9-22(5-2)10-17-26/h9-10,13,16-18,20-21,23,25H,4-8,11-12,14-15,19H2,1-3H3
InChIKeySOFHOQFNRUGNIC-UHFFFAOYSA-N
XLogP8.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.62
LogP ≤ 58.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-1-(3-fluorophenyl)-4-[2-(4-pentylcyclohexyl)propyl]benzene
CID 139708948
4-[2-(4-butylcyclohexyl)propyl]-1-(3,4-difluorophenyl)-2-fluorobenzene
CID 139708964
1,2-difluoro-4-[4-[2-(4-pentylcyclohexyl)propyl]phenyl]benzene
CID 139708846
1-[4-[2-fluoro-4-(2-methylbutyl)phenyl]phenyl]-2-(4-heptylcyclohexyl)ethanone
CID 18609833
1-ethyl-3-[(2S)-2-(4-hexylcyclohexyl)propyl]benzene
CID 143682920
4-[4-[2-(4-butylcyclohexyl)propyl]phenyl]-1,2-difluorobenzene
CID 139708761
4-[2-(4-butylcyclohexyl)propyl]-2-fluoro-1-methoxybenzene
CID 139708741
1,3-difluoro-5-[2-(4-pentylcyclohexyl)propyl]benzene
CID 139691903
1-(4-ethylphenyl)-2,3-difluoro-4-[1-(4-octylcyclohexyl)ethyl]benzene
CID 67895843
1-[4-[(E)-2-(4-ethylphenyl)ethenyl]phenyl]-2-fluoro-4-(4-pentylcyclohexyl)benzene
CID 19906956
4-[4-[2-(4-pentylcyclohexyl)propyl]phenyl]benzonitrile
CID 139708880
4-[4-(4-butylcyclohexyl)phenyl]-2-fluoro-1-(4-propylphenyl)benzene;1-(4-ethylphenyl)-2-fluoro-4-[4-(4-pentylcyclohexyl)phenyl]benzene;2-fluoro-4-[4-(4-pentylcyclohexyl)phenyl]-1-(4-propylphenyl)benzene;molecular hydrogen
CID 158616323

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-2-fluoro-4-[2-(4-pentylcyclohexyl)propyl]benzene?
The IUPAC name of 1-(4-ethylphenyl)-2-fluoro-4-[2-(4-pentylcyclohexyl)propyl]benzene (CID 139708745) is 1-(4-ethylphenyl)-2-fluoro-4-[2-(4-pentylcyclohexyl)propyl]benzene.
What is the SMILES notation for 1-(4-ethylphenyl)-2-fluoro-4-[2-(4-pentylcyclohexyl)propyl]benzene?
The canonical SMILES for 1-(4-ethylphenyl)-2-fluoro-4-[2-(4-pentylcyclohexyl)propyl]benzene is CCCCCC1CCC(C(C)Cc2ccc(-c3ccc(CC)cc3)c(F)c2)CC1.
What is the InChIKey of 1-(4-ethylphenyl)-2-fluoro-4-[2-(4-pentylcyclohexyl)propyl]benzene?
The InChIKey is SOFHOQFNRUGNIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H39F/c1-4-6-7-8-23-11-14-25(15-12-23)21(3)19-24-13-18-27(28(29)20-24)26-16-9-22(5-2)10-17-26/h9-10,13,16-18,20-21,23,25H,4-8,11-12,14-15,19H2,1-3H3.
What are the key properties of 1-(4-ethylphenyl)-2-fluoro-4-[2-(4-pentylcyclohexyl)propyl]benzene?
1-(4-ethylphenyl)-2-fluoro-4-[2-(4-pentylcyclohexyl)propyl]benzene has a molecular weight of 394.62 g/mol, XLogP of 8.62, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-2-fluoro-4-[2-(4-pentylcyclohexyl)propyl]benzene is sourced from PubChem (CID 139708745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).