4-[4-[2-(4-butylcyclohexyl)propyl]phenyl]-1,2-difluorobenzene

C25H32F2 — CID 139708761

IUPAC4-[4-[2-(4-butylcyclohexyl)propyl]phenyl]-1,2-difluorobenzene
SMILESCCCCC1CCC(C(C)Cc2ccc(-c3ccc(F)c(F)c3)cc2)CC1
InChIInChI=1S/C25H32F2/c1-3-4-5-19-6-10-21(11-7-19)18(2)16-20-8-12-22(13-9-20)23-14-15-24(26)25(27)17-23/h8-9,12-15,17-19,21H,3-7,10-11,16H2,1-2H3
InChIKeySSDFUBIPEBJGEN-UHFFFAOYSA-N
MW370.53 g/mol
LogP7.81
Rot. Bonds7

About 4-[4-[2-(4-butylcyclohexyl)propyl]phenyl]-1,2-difluorobenzene

4-[4-[2-(4-butylcyclohexyl)propyl]phenyl]-1,2-difluorobenzene (PubChem CID 139708761) has the molecular formula C25H32F2 and a molecular weight of 370.53 g/mol. Its IUPAC name is 4-[4-[2-(4-butylcyclohexyl)propyl]phenyl]-1,2-difluorobenzene.

Molecular Properties

Compound Name4-[4-[2-(4-butylcyclohexyl)propyl]phenyl]-1,2-difluorobenzene
PubChem CID139708761
Molecular FormulaC25H32F2
Molecular Weight370.53 g/mol
Exact Mass370.25
IUPAC Name4-[4-[2-(4-butylcyclohexyl)propyl]phenyl]-1,2-difluorobenzene
SMILESCCCCC1CCC(C(C)Cc2ccc(-c3ccc(F)c(F)c3)cc2)CC1
InChIInChI=1S/C25H32F2/c1-3-4-5-19-6-10-21(11-7-19)18(2)16-20-8-12-22(13-9-20)23-14-15-24(26)25(27)17-23/h8-9,12-15,17-19,21H,3-7,10-11,16H2,1-2H3
InChIKeySSDFUBIPEBJGEN-UHFFFAOYSA-N
XLogP7.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.53
LogP ≤ 57.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2-difluoro-4-[4-[2-(4-pentylcyclohexyl)propyl]phenyl]benzene
CID 139708846
4-[2-(4-butylcyclohexyl)propyl]-1-(3,4-difluorophenyl)-2-fluorobenzene
CID 139708964
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
1-(4-ethylphenyl)-2-fluoro-4-[2-(4-pentylcyclohexyl)propyl]benzene
CID 139708745
4-[4-[2-(4-pentylcyclohexyl)propyl]phenyl]benzonitrile
CID 139708880
2-(3,4-difluorophenyl)-5-[2-(4-ethylcyclohexyl)propyl]-1,3-difluorobenzene
CID 139708699
1,2-difluoro-4-[4-[4-[2-(4-propylcyclohexyl)propyl]cyclohexyl]phenyl]benzene
CID 139710818
1-[2-(4-butylcyclohexyl)propyl]-4-ethoxybenzene
CID 139691896
1,3-difluoro-5-[2-(4-pentylcyclohexyl)propyl]benzene
CID 139691903
2-chloro-4-(3,4-difluorophenyl)-1-[1-(4-pentylcyclohexyl)ethyl]benzene
CID 54366134
1-[2-(4-butylcyclohexyl)propyl]-4-[2-(4-propylphenyl)ethynyl]benzene
CID 139708871

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(4-butylcyclohexyl)propyl]phenyl]-1,2-difluorobenzene?
The IUPAC name of 4-[4-[2-(4-butylcyclohexyl)propyl]phenyl]-1,2-difluorobenzene (CID 139708761) is 4-[4-[2-(4-butylcyclohexyl)propyl]phenyl]-1,2-difluorobenzene.
What is the SMILES notation for 4-[4-[2-(4-butylcyclohexyl)propyl]phenyl]-1,2-difluorobenzene?
The canonical SMILES for 4-[4-[2-(4-butylcyclohexyl)propyl]phenyl]-1,2-difluorobenzene is CCCCC1CCC(C(C)Cc2ccc(-c3ccc(F)c(F)c3)cc2)CC1.
What is the InChIKey of 4-[4-[2-(4-butylcyclohexyl)propyl]phenyl]-1,2-difluorobenzene?
The InChIKey is SSDFUBIPEBJGEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32F2/c1-3-4-5-19-6-10-21(11-7-19)18(2)16-20-8-12-22(13-9-20)23-14-15-24(26)25(27)17-23/h8-9,12-15,17-19,21H,3-7,10-11,16H2,1-2H3.
What are the key properties of 4-[4-[2-(4-butylcyclohexyl)propyl]phenyl]-1,2-difluorobenzene?
4-[4-[2-(4-butylcyclohexyl)propyl]phenyl]-1,2-difluorobenzene has a molecular weight of 370.53 g/mol, XLogP of 7.81, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(4-butylcyclohexyl)propyl]phenyl]-1,2-difluorobenzene is sourced from PubChem (CID 139708761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).