2,4-difluoro-1-(4-propylcyclohexyl)benzene

C15H20F2 — CID 20677019

IUPAC2,4-difluoro-1-(4-propylcyclohexyl)benzene
SMILESCCCC1CCC(c2ccc(F)cc2F)CC1
InChIInChI=1S/C15H20F2/c1-2-3-11-4-6-12(7-5-11)14-9-8-13(16)10-15(14)17/h8-12H,2-7H2,1H3
InChIKeyDMCCXBZABUXOPC-UHFFFAOYSA-N
MW238.32 g/mol
LogP5.04
Rot. Bonds3

About 2,4-difluoro-1-(4-propylcyclohexyl)benzene

2,4-difluoro-1-(4-propylcyclohexyl)benzene (PubChem CID 20677019) has the molecular formula C15H20F2 and a molecular weight of 238.32 g/mol. Its IUPAC name is 2,4-difluoro-1-(4-propylcyclohexyl)benzene.

Molecular Properties

Compound Name2,4-difluoro-1-(4-propylcyclohexyl)benzene
PubChem CID20677019
Molecular FormulaC15H20F2
Molecular Weight238.32 g/mol
Exact Mass238.15
IUPAC Name2,4-difluoro-1-(4-propylcyclohexyl)benzene
SMILESCCCC1CCC(c2ccc(F)cc2F)CC1
InChIInChI=1S/C15H20F2/c1-2-3-11-4-6-12(7-5-11)14-9-8-13(16)10-15(14)17/h8-12H,2-7H2,1H3
InChIKeyDMCCXBZABUXOPC-UHFFFAOYSA-N
XLogP5.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.32
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-fluoro-1-[4-(4-propylcyclohexyl)cyclohexyl]-2-(trifluoromethyl)benzene
CID 139880265
1-(4-butylcyclohexyl)-2-fluoro-4-[2-(4-propylcyclohexyl)ethyl]benzene
CID 151687811
2-fluoro-1-[4-(4-methylcyclohexyl)cyclohexyl]-4-(4-propylcyclohexyl)benzene
CID 122642799
2-fluoro-4-[4-(4-methylcyclohexyl)phenyl]-1-(4-propylcyclohexyl)benzene
CID 54571988
N-[2-[4-(2,4-difluorophenyl)cyclohexyl]ethyl]-1-methylcyclopentan-1-amine
CID 153338455
2-fluoro-1-(4-pentylcyclohexyl)-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 118136052
2-fluoro-4-[4-[4-(fluoromethyl)cyclohexyl]phenyl]-1-(4-propylcyclohexyl)benzene
CID 21265243
2,3-difluoro-1-(4-fluorophenyl)-4-(4-propylcyclohexyl)benzene
CID 118593483
4-[2-[3-fluoro-4-(4-propylcyclohexyl)phenyl]ethyl]benzonitrile
CID 70412326
2,3-difluoro-1-(4-propylcyclohexyl)-4-(3,4,5-trifluorophenyl)benzene
CID 118593448
1,3,4-trifluoro-2-methyl-5-(4-propylcyclohexyl)benzene
CID 18635056
1-fluoro-4-[4-(4-propylcyclohexyl)phenyl]benzene
CID 611152

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-1-(4-propylcyclohexyl)benzene?
The IUPAC name of 2,4-difluoro-1-(4-propylcyclohexyl)benzene (CID 20677019) is 2,4-difluoro-1-(4-propylcyclohexyl)benzene.
What is the SMILES notation for 2,4-difluoro-1-(4-propylcyclohexyl)benzene?
The canonical SMILES for 2,4-difluoro-1-(4-propylcyclohexyl)benzene is CCCC1CCC(c2ccc(F)cc2F)CC1.
What is the InChIKey of 2,4-difluoro-1-(4-propylcyclohexyl)benzene?
The InChIKey is DMCCXBZABUXOPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2/c1-2-3-11-4-6-12(7-5-11)14-9-8-13(16)10-15(14)17/h8-12H,2-7H2,1H3.
What are the key properties of 2,4-difluoro-1-(4-propylcyclohexyl)benzene?
2,4-difluoro-1-(4-propylcyclohexyl)benzene has a molecular weight of 238.32 g/mol, XLogP of 5.04, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-1-(4-propylcyclohexyl)benzene is sourced from PubChem (CID 20677019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).