2-butyl-1,3-difluoro-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene

C25H38F2 — CID 67847934

IUPAC2-butyl-1,3-difluoro-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene
SMILESCCCCc1c(F)cc(C2CCC(C3CCC(CCC)CC3)CC2)cc1F
InChIInChI=1S/C25H38F2/c1-3-5-7-23-24(26)16-22(17-25(23)27)21-14-12-20(13-15-21)19-10-8-18(6-4-2)9-11-19/h16-21H,3-15H2,1-2H3
InChIKeyLYAWQTWSVWVNLJ-UHFFFAOYSA-N
MW376.58 g/mol
LogP8.19
Rot. Bonds7

About 2-butyl-1,3-difluoro-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene

2-butyl-1,3-difluoro-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene (PubChem CID 67847934) has the molecular formula C25H38F2 and a molecular weight of 376.58 g/mol. Its IUPAC name is 2-butyl-1,3-difluoro-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene.

Molecular Properties

Compound Name2-butyl-1,3-difluoro-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene
PubChem CID67847934
Molecular FormulaC25H38F2
Molecular Weight376.58 g/mol
Exact Mass376.29
IUPAC Name2-butyl-1,3-difluoro-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene
SMILESCCCCc1c(F)cc(C2CCC(C3CCC(CCC)CC3)CC2)cc1F
InChIInChI=1S/C25H38F2/c1-3-5-7-23-24(26)16-22(17-25(23)27)21-14-12-20(13-15-21)19-10-8-18(6-4-2)9-11-19/h16-21H,3-15H2,1-2H3
InChIKeyLYAWQTWSVWVNLJ-UHFFFAOYSA-N
XLogP8.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.58
LogP ≤ 58.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,3-difluoro-2-(fluoromethyl)-5-[4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]benzene
CID 70821004
2,6-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenol;octane
CID 145464110
1,2-difluoro-3-methyl-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 71202451
2,6-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]aniline
CID 22731669
2-(3,5-difluoro-4-propylphenyl)-6-(4-hexylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139837055
5-[4-(4-ethylcyclohexyl)cyclohexyl]-2-[3-[3-[4-[4-(4-ethylcyclohexyl)cyclohexyl]-2,6-difluorophenyl]propoxy]propyl]-1,3-difluorobenzene
CID 140976214
2-(difluoromethyl)-1,3-difluoro-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 15041745
2-[chloro(difluoro)methyl]-1,3-difluoro-5-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexyl]benzene
CID 20654099
2-[bromo(difluoro)methyl]-1,3-difluoro-5-[4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]benzene
CID 20654003
5-[4-[(E)-4-chlorobut-3-enyl]cyclohexyl]-1,3-difluoro-2-pentylbenzene
CID 18656459
2-[4-[3,5-difluoro-4-[(E)-pent-3-enyl]phenyl]cyclohexyl]-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139867301
2-fluoro-1-(4-pentylcyclohexyl)-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 118136052

Frequently Asked Questions

What is the IUPAC name of 2-butyl-1,3-difluoro-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene?
The IUPAC name of 2-butyl-1,3-difluoro-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene (CID 67847934) is 2-butyl-1,3-difluoro-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene.
What is the SMILES notation for 2-butyl-1,3-difluoro-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene?
The canonical SMILES for 2-butyl-1,3-difluoro-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene is CCCCc1c(F)cc(C2CCC(C3CCC(CCC)CC3)CC2)cc1F.
What is the InChIKey of 2-butyl-1,3-difluoro-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene?
The InChIKey is LYAWQTWSVWVNLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38F2/c1-3-5-7-23-24(26)16-22(17-25(23)27)21-14-12-20(13-15-21)19-10-8-18(6-4-2)9-11-19/h16-21H,3-15H2,1-2H3.
What are the key properties of 2-butyl-1,3-difluoro-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene?
2-butyl-1,3-difluoro-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene has a molecular weight of 376.58 g/mol, XLogP of 8.19, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1,3-difluoro-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene is sourced from PubChem (CID 67847934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).