4-[2-(4-butylcyclohexyl)propyl]-1-(3,4-difluorophenyl)-2-fluorobenzene

C25H31F3 — CID 139708964

IUPAC4-[2-(4-butylcyclohexyl)propyl]-1-(3,4-difluorophenyl)-2-fluorobenzene
SMILESCCCCC1CCC(C(C)Cc2ccc(-c3ccc(F)c(F)c3)c(F)c2)CC1
InChIInChI=1S/C25H31F3/c1-3-4-5-18-6-9-20(10-7-18)17(2)14-19-8-12-22(24(27)15-19)21-11-13-23(26)25(28)16-21/h8,11-13,15-18,20H,3-7,9-10,14H2,1-2H3
InChIKeyVNKLVNIEQZYUOT-UHFFFAOYSA-N
MW388.52 g/mol
LogP7.95
Rot. Bonds7

About 4-[2-(4-butylcyclohexyl)propyl]-1-(3,4-difluorophenyl)-2-fluorobenzene

4-[2-(4-butylcyclohexyl)propyl]-1-(3,4-difluorophenyl)-2-fluorobenzene (PubChem CID 139708964) has the molecular formula C25H31F3 and a molecular weight of 388.52 g/mol. Its IUPAC name is 4-[2-(4-butylcyclohexyl)propyl]-1-(3,4-difluorophenyl)-2-fluorobenzene.

Molecular Properties

Compound Name4-[2-(4-butylcyclohexyl)propyl]-1-(3,4-difluorophenyl)-2-fluorobenzene
PubChem CID139708964
Molecular FormulaC25H31F3
Molecular Weight388.52 g/mol
Exact Mass388.24
IUPAC Name4-[2-(4-butylcyclohexyl)propyl]-1-(3,4-difluorophenyl)-2-fluorobenzene
SMILESCCCCC1CCC(C(C)Cc2ccc(-c3ccc(F)c(F)c3)c(F)c2)CC1
InChIInChI=1S/C25H31F3/c1-3-4-5-18-6-9-20(10-7-18)17(2)14-19-8-12-22(24(27)15-19)21-11-13-23(26)25(28)16-21/h8,11-13,15-18,20H,3-7,9-10,14H2,1-2H3
InChIKeyVNKLVNIEQZYUOT-UHFFFAOYSA-N
XLogP7.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.52
LogP ≤ 57.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-[4-[2-(4-butylcyclohexyl)propyl]phenyl]-1,2-difluorobenzene
CID 139708761
1-(4-ethylphenyl)-2-fluoro-4-[2-(4-pentylcyclohexyl)propyl]benzene
CID 139708745
1,2-difluoro-4-[4-[2-(4-pentylcyclohexyl)propyl]phenyl]benzene
CID 139708846
2-fluoro-1-(3-fluorophenyl)-4-[2-(4-pentylcyclohexyl)propyl]benzene
CID 139708948
2-(3,4-difluorophenyl)-1,3-difluoro-5-[2-(4-propylcyclohexyl)propyl]benzene
CID 67697847
4-[2-(4-butylcyclohexyl)propyl]-2-fluoro-1-methoxybenzene
CID 139708741
2-(3,4-difluorophenyl)-5-[2-(4-ethylcyclohexyl)propyl]-1,3-difluorobenzene
CID 139708699
1,2-difluoro-4-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]benzene
CID 10882919
1-(3,4-difluorophenyl)-4-[2,2-difluoro-2-(4-propylcyclohexyl)ethyl]-2-fluorobenzene
CID 18343984
5-(4-butylcyclohexyl)-2-[4-(3,4-difluorophenyl)-3-fluorophenyl]pyrimidine
CID 20708946
1-[4-[2-fluoro-4-(2-methylbutyl)phenyl]phenyl]-2-(4-heptylcyclohexyl)ethanone
CID 18609833
1,3-difluoro-5-[2-(4-pentylcyclohexyl)propyl]benzene
CID 139691903

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-butylcyclohexyl)propyl]-1-(3,4-difluorophenyl)-2-fluorobenzene?
The IUPAC name of 4-[2-(4-butylcyclohexyl)propyl]-1-(3,4-difluorophenyl)-2-fluorobenzene (CID 139708964) is 4-[2-(4-butylcyclohexyl)propyl]-1-(3,4-difluorophenyl)-2-fluorobenzene.
What is the SMILES notation for 4-[2-(4-butylcyclohexyl)propyl]-1-(3,4-difluorophenyl)-2-fluorobenzene?
The canonical SMILES for 4-[2-(4-butylcyclohexyl)propyl]-1-(3,4-difluorophenyl)-2-fluorobenzene is CCCCC1CCC(C(C)Cc2ccc(-c3ccc(F)c(F)c3)c(F)c2)CC1.
What is the InChIKey of 4-[2-(4-butylcyclohexyl)propyl]-1-(3,4-difluorophenyl)-2-fluorobenzene?
The InChIKey is VNKLVNIEQZYUOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31F3/c1-3-4-5-18-6-9-20(10-7-18)17(2)14-19-8-12-22(24(27)15-19)21-11-13-23(26)25(28)16-21/h8,11-13,15-18,20H,3-7,9-10,14H2,1-2H3.
What are the key properties of 4-[2-(4-butylcyclohexyl)propyl]-1-(3,4-difluorophenyl)-2-fluorobenzene?
4-[2-(4-butylcyclohexyl)propyl]-1-(3,4-difluorophenyl)-2-fluorobenzene has a molecular weight of 388.52 g/mol, XLogP of 7.95, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-butylcyclohexyl)propyl]-1-(3,4-difluorophenyl)-2-fluorobenzene is sourced from PubChem (CID 139708964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).