2-fluoro-1-(3-fluorophenyl)-4-[2-(4-pentylcyclohexyl)propyl]benzene

C26H34F2 — CID 139708948

IUPAC2-fluoro-1-(3-fluorophenyl)-4-[2-(4-pentylcyclohexyl)propyl]benzene
SMILESCCCCCC1CCC(C(C)Cc2ccc(-c3cccc(F)c3)c(F)c2)CC1
InChIInChI=1S/C26H34F2/c1-3-4-5-7-20-10-13-22(14-11-20)19(2)16-21-12-15-25(26(28)17-21)23-8-6-9-24(27)18-23/h6,8-9,12,15,17-20,22H,3-5,7,10-11,13-14,16H2,1-2H3
InChIKeyPQURUTCPRCLIAE-UHFFFAOYSA-N
MW384.55 g/mol
LogP8.20
Rot. Bonds8

About 2-fluoro-1-(3-fluorophenyl)-4-[2-(4-pentylcyclohexyl)propyl]benzene

2-fluoro-1-(3-fluorophenyl)-4-[2-(4-pentylcyclohexyl)propyl]benzene (PubChem CID 139708948) has the molecular formula C26H34F2 and a molecular weight of 384.55 g/mol. Its IUPAC name is 2-fluoro-1-(3-fluorophenyl)-4-[2-(4-pentylcyclohexyl)propyl]benzene.

Molecular Properties

Compound Name2-fluoro-1-(3-fluorophenyl)-4-[2-(4-pentylcyclohexyl)propyl]benzene
PubChem CID139708948
Molecular FormulaC26H34F2
Molecular Weight384.55 g/mol
Exact Mass384.26
IUPAC Name2-fluoro-1-(3-fluorophenyl)-4-[2-(4-pentylcyclohexyl)propyl]benzene
SMILESCCCCCC1CCC(C(C)Cc2ccc(-c3cccc(F)c3)c(F)c2)CC1
InChIInChI=1S/C26H34F2/c1-3-4-5-7-20-10-13-22(14-11-20)19(2)16-21-12-15-25(26(28)17-21)23-8-6-9-24(27)18-23/h6,8-9,12,15,17-20,22H,3-5,7,10-11,13-14,16H2,1-2H3
InChIKeyPQURUTCPRCLIAE-UHFFFAOYSA-N
XLogP8.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.55
LogP ≤ 58.20
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

1-(4-ethylphenyl)-2-fluoro-4-[2-(4-pentylcyclohexyl)propyl]benzene
CID 139708745
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
1,3-difluoro-5-[2-(4-pentylcyclohexyl)propyl]benzene
CID 139691903
1-ethyl-3-[(2S)-2-(4-hexylcyclohexyl)propyl]benzene
CID 143682920
4-[2-(4-butylcyclohexyl)propyl]-2-fluoro-1-methoxybenzene
CID 139708741
4-[4-[2-(4-butylcyclohexyl)propyl]phenyl]-1,2-difluorobenzene
CID 139708761
1-[4-[2-fluoro-4-(2-methylbutyl)phenyl]phenyl]-2-(4-heptylcyclohexyl)ethanone
CID 18609833
(2R,4aR,8aR)-2-[3-fluoro-4-(3-fluorophenyl)phenyl]-6-hexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 20809170
1-(3-fluorophenyl)-4-(4-pentylcyclohexyl)-2-phenylbenzene
CID 18647585
1,2,3-trifluoro-5-[2-(4-propylcyclohexyl)propyl]benzene
CID 139691879
4-[4-[2-(4-pentylcyclohexyl)propyl]phenyl]benzonitrile
CID 139708880

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-(3-fluorophenyl)-4-[2-(4-pentylcyclohexyl)propyl]benzene?
The IUPAC name of 2-fluoro-1-(3-fluorophenyl)-4-[2-(4-pentylcyclohexyl)propyl]benzene (CID 139708948) is 2-fluoro-1-(3-fluorophenyl)-4-[2-(4-pentylcyclohexyl)propyl]benzene.
What is the SMILES notation for 2-fluoro-1-(3-fluorophenyl)-4-[2-(4-pentylcyclohexyl)propyl]benzene?
The canonical SMILES for 2-fluoro-1-(3-fluorophenyl)-4-[2-(4-pentylcyclohexyl)propyl]benzene is CCCCCC1CCC(C(C)Cc2ccc(-c3cccc(F)c3)c(F)c2)CC1.
What is the InChIKey of 2-fluoro-1-(3-fluorophenyl)-4-[2-(4-pentylcyclohexyl)propyl]benzene?
The InChIKey is PQURUTCPRCLIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34F2/c1-3-4-5-7-20-10-13-22(14-11-20)19(2)16-21-12-15-25(26(28)17-21)23-8-6-9-24(27)18-23/h6,8-9,12,15,17-20,22H,3-5,7,10-11,13-14,16H2,1-2H3.
What are the key properties of 2-fluoro-1-(3-fluorophenyl)-4-[2-(4-pentylcyclohexyl)propyl]benzene?
2-fluoro-1-(3-fluorophenyl)-4-[2-(4-pentylcyclohexyl)propyl]benzene has a molecular weight of 384.55 g/mol, XLogP of 8.20, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-(3-fluorophenyl)-4-[2-(4-pentylcyclohexyl)propyl]benzene is sourced from PubChem (CID 139708948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).