2-(4-chlorophenyl)-1,3-difluoro-5-[(4-propylcyclohexyl)methyl]benzene

C22H25ClF2 — CID 139696595

IUPAC2-(4-chlorophenyl)-1,3-difluoro-5-[(4-propylcyclohexyl)methyl]benzene
SMILESCCCC1CCC(Cc2cc(F)c(-c3ccc(Cl)cc3)c(F)c2)CC1
InChIInChI=1S/C22H25ClF2/c1-2-3-15-4-6-16(7-5-15)12-17-13-20(24)22(21(25)14-17)18-8-10-19(23)11-9-18/h8-11,13-16H,2-7,12H2,1H3
InChIKeyMUDBBQAMBFYGOE-UHFFFAOYSA-N
MW362.89 g/mol
LogP7.43
Rot. Bonds5

About 2-(4-chlorophenyl)-1,3-difluoro-5-[(4-propylcyclohexyl)methyl]benzene

2-(4-chlorophenyl)-1,3-difluoro-5-[(4-propylcyclohexyl)methyl]benzene (PubChem CID 139696595) has the molecular formula C22H25ClF2 and a molecular weight of 362.89 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1,3-difluoro-5-[(4-propylcyclohexyl)methyl]benzene.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1,3-difluoro-5-[(4-propylcyclohexyl)methyl]benzene
PubChem CID139696595
Molecular FormulaC22H25ClF2
Molecular Weight362.89 g/mol
Exact Mass362.16
IUPAC Name2-(4-chlorophenyl)-1,3-difluoro-5-[(4-propylcyclohexyl)methyl]benzene
SMILESCCCC1CCC(Cc2cc(F)c(-c3ccc(Cl)cc3)c(F)c2)CC1
InChIInChI=1S/C22H25ClF2/c1-2-3-15-4-6-16(7-5-15)12-17-13-20(24)22(21(25)14-17)18-8-10-19(23)11-9-18/h8-11,13-16H,2-7,12H2,1H3
InChIKeyMUDBBQAMBFYGOE-UHFFFAOYSA-N
XLogP7.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.89
LogP ≤ 57.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,3-difluoro-5-[(4-pentylcyclohexyl)methyl]-2-[4-(trifluoromethyl)phenyl]benzene
CID 139696588
2-[2-[4-(4-chlorophenyl)-3,5-difluorophenyl]ethyl]-5-propyl-1,3-dioxane
CID 20656655
2-[4-(4-chlorophenyl)-3,5-difluorophenyl]-5-propyl-1,3-dioxane
CID 54471568
1,3-difluoro-2-[4-[2-[4-(methoxymethyl)cyclohexyl]ethyl]phenyl]-5-[2-(4-propylcyclohexyl)ethyl]benzene
CID 23297290
2-(3,4-difluorophenyl)-1,3-difluoro-5-[2-(4-propylcyclohexyl)propyl]benzene
CID 67697847
1,3-difluoro-2-(3-fluorophenyl)-5-[2-(4-propylcyclohexyl)ethyl]benzene
CID 139711046
1-chloro-4-[4-(4-propylcyclohexyl)phenyl]benzene
CID 118912523
1-(4-chlorophenyl)-2-fluoro-4-[2-[4-[2-(4-propylphenyl)ethyl]cyclohexyl]ethyl]benzene
CID 54325474
2-(3,4-difluorophenyl)-1,3-difluoro-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene;molecular hydrogen
CID 158855287
5-[4-[2,2-difluoro-2-(4-propylcyclohexyl)ethyl]-2-fluorophenyl]-1,3-difluoro-2-(3-fluoro-4-methylphenyl)benzene
CID 18344427
2-(4-chloro-3-fluorophenyl)-1,3-difluoro-5-[2-[4-[2-(4-heptylphenyl)ethyl]cyclohexyl]ethyl]benzene
CID 54363230
1-(3,4-difluorophenyl)-4-[2,2-difluoro-2-(4-propylcyclohexyl)ethyl]-2-fluorobenzene
CID 18343984

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1,3-difluoro-5-[(4-propylcyclohexyl)methyl]benzene?
The IUPAC name of 2-(4-chlorophenyl)-1,3-difluoro-5-[(4-propylcyclohexyl)methyl]benzene (CID 139696595) is 2-(4-chlorophenyl)-1,3-difluoro-5-[(4-propylcyclohexyl)methyl]benzene.
What is the SMILES notation for 2-(4-chlorophenyl)-1,3-difluoro-5-[(4-propylcyclohexyl)methyl]benzene?
The canonical SMILES for 2-(4-chlorophenyl)-1,3-difluoro-5-[(4-propylcyclohexyl)methyl]benzene is CCCC1CCC(Cc2cc(F)c(-c3ccc(Cl)cc3)c(F)c2)CC1.
What is the InChIKey of 2-(4-chlorophenyl)-1,3-difluoro-5-[(4-propylcyclohexyl)methyl]benzene?
The InChIKey is MUDBBQAMBFYGOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClF2/c1-2-3-15-4-6-16(7-5-15)12-17-13-20(24)22(21(25)14-17)18-8-10-19(23)11-9-18/h8-11,13-16H,2-7,12H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-1,3-difluoro-5-[(4-propylcyclohexyl)methyl]benzene?
2-(4-chlorophenyl)-1,3-difluoro-5-[(4-propylcyclohexyl)methyl]benzene has a molecular weight of 362.89 g/mol, XLogP of 7.43, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1,3-difluoro-5-[(4-propylcyclohexyl)methyl]benzene is sourced from PubChem (CID 139696595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).