1-chloro-3,5-difluoro-2-[[4-(2-methylpropyl)phenyl]methyl]benzene

C17H17ClF2 — CID 178141139

IUPAC1-chloro-3,5-difluoro-2-[[4-(2-methylpropyl)phenyl]methyl]benzene
SMILESCC(C)Cc1ccc(Cc2c(F)cc(F)cc2Cl)cc1
InChIInChI=1S/C17H17ClF2/c1-11(2)7-12-3-5-13(6-4-12)8-15-16(18)9-14(19)10-17(15)20/h3-6,9-11H,7-8H2,1-2H3
InChIKeyWJLZLIUWUWQVJF-UHFFFAOYSA-N
MW294.77 g/mol
LogP5.41
Rot. Bonds4

About 1-chloro-3,5-difluoro-2-[[4-(2-methylpropyl)phenyl]methyl]benzene

1-chloro-3,5-difluoro-2-[[4-(2-methylpropyl)phenyl]methyl]benzene (PubChem CID 178141139) has the molecular formula C17H17ClF2 and a molecular weight of 294.77 g/mol. Its IUPAC name is 1-chloro-3,5-difluoro-2-[[4-(2-methylpropyl)phenyl]methyl]benzene.

Molecular Properties

Compound Name1-chloro-3,5-difluoro-2-[[4-(2-methylpropyl)phenyl]methyl]benzene
PubChem CID178141139
Molecular FormulaC17H17ClF2
Molecular Weight294.77 g/mol
Exact Mass294.10
IUPAC Name1-chloro-3,5-difluoro-2-[[4-(2-methylpropyl)phenyl]methyl]benzene
SMILESCC(C)Cc1ccc(Cc2c(F)cc(F)cc2Cl)cc1
InChIInChI=1S/C17H17ClF2/c1-11(2)7-12-3-5-13(6-4-12)8-15-16(18)9-14(19)10-17(15)20/h3-6,9-11H,7-8H2,1-2H3
InChIKeyWJLZLIUWUWQVJF-UHFFFAOYSA-N
XLogP5.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.77
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-chloro-3,5-difluoro-2-[[4-(2-methylpropyl)phenyl]methyl]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3,5-trifluoro-2-[4-(2-methylpropyl)phenoxy]benzene
CID 178142552
(2-chloro-4-fluorophenyl)-[4-(2-methylpropyl)phenyl]methanone
CID 43338130
[4-(2-methylpropyl)phenyl]-(2,4,6-trifluorophenyl)methanol
CID 65100834
1,2-difluoro-4-(2-methylpropyl)benzene;1-fluoro-4-(2-methylpropyl)benzene
CID 157379401
1-chloro-4-[[3-(2-methylpropyl)phenyl]methyl]benzene
CID 178142116
1-[1-(4-chlorophenyl)propan-2-yl]-3,5-difluorobenzene
CID 142807623
1-fluoro-4-(2-methylpropyl)benzene;2-methylpropylbenzene
CID 145233135
1-(3,4-difluorophenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine
CID 43480546
ethane;1,2,3-trifluoro-5-(2-methylpropyl)benzene
CID 145128003
(2,4-difluorophenyl)-[4-(2-methylpropyl)phenyl]methanol
CID 61100850
1-[3-fluoro-5-[4-(2-methylpropyl)phenyl]phenyl]-N-methylmethanamine
CID 172652256
1-chloro-2-[chloro-[4-(2-methylpropyl)phenyl]methyl]-3-fluorobenzene
CID 63431072

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3,5-difluoro-2-[[4-(2-methylpropyl)phenyl]methyl]benzene?
The IUPAC name of 1-chloro-3,5-difluoro-2-[[4-(2-methylpropyl)phenyl]methyl]benzene (CID 178141139) is 1-chloro-3,5-difluoro-2-[[4-(2-methylpropyl)phenyl]methyl]benzene.
What is the SMILES notation for 1-chloro-3,5-difluoro-2-[[4-(2-methylpropyl)phenyl]methyl]benzene?
The canonical SMILES for 1-chloro-3,5-difluoro-2-[[4-(2-methylpropyl)phenyl]methyl]benzene is CC(C)Cc1ccc(Cc2c(F)cc(F)cc2Cl)cc1.
What is the InChIKey of 1-chloro-3,5-difluoro-2-[[4-(2-methylpropyl)phenyl]methyl]benzene?
The InChIKey is WJLZLIUWUWQVJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClF2/c1-11(2)7-12-3-5-13(6-4-12)8-15-16(18)9-14(19)10-17(15)20/h3-6,9-11H,7-8H2,1-2H3.
What are the key properties of 1-chloro-3,5-difluoro-2-[[4-(2-methylpropyl)phenyl]methyl]benzene?
1-chloro-3,5-difluoro-2-[[4-(2-methylpropyl)phenyl]methyl]benzene has a molecular weight of 294.77 g/mol, XLogP of 5.41, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3,5-difluoro-2-[[4-(2-methylpropyl)phenyl]methyl]benzene is sourced from PubChem (CID 178141139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).