1-[1-chloro-2-(3-methylphenyl)ethyl]-3,5-difluorobenzene

C15H13ClF2 — CID 63542357

IUPAC1-[1-chloro-2-(3-methylphenyl)ethyl]-3,5-difluorobenzene
SMILESCc1cccc(CC(Cl)c2cc(F)cc(F)c2)c1
InChIInChI=1S/C15H13ClF2/c1-10-3-2-4-11(5-10)6-15(16)12-7-13(17)9-14(18)8-12/h2-5,7-9,15H,6H2,1H3
InChIKeyAFZIJAICPNDURK-UHFFFAOYSA-N
MW266.72 g/mol
LogP4.80
Rot. Bonds3

About 1-[1-chloro-2-(3-methylphenyl)ethyl]-3,5-difluorobenzene

1-[1-chloro-2-(3-methylphenyl)ethyl]-3,5-difluorobenzene (PubChem CID 63542357) has the molecular formula C15H13ClF2 and a molecular weight of 266.72 g/mol. Its IUPAC name is 1-[1-chloro-2-(3-methylphenyl)ethyl]-3,5-difluorobenzene.

Molecular Properties

Compound Name1-[1-chloro-2-(3-methylphenyl)ethyl]-3,5-difluorobenzene
PubChem CID63542357
Molecular FormulaC15H13ClF2
Molecular Weight266.72 g/mol
Exact Mass266.07
IUPAC Name1-[1-chloro-2-(3-methylphenyl)ethyl]-3,5-difluorobenzene
SMILESCc1cccc(CC(Cl)c2cc(F)cc(F)c2)c1
InChIInChI=1S/C15H13ClF2/c1-10-3-2-4-11(5-10)6-15(16)12-7-13(17)9-14(18)8-12/h2-5,7-9,15H,6H2,1H3
InChIKeyAFZIJAICPNDURK-UHFFFAOYSA-N
XLogP4.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.72
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 1-[1-chloro-2-(3-methylphenyl)ethyl]-3,5-difluorobenzene 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-[1-chloro-2-(3-fluorophenyl)ethyl]-3,5-dimethylbenzene
CID 55225396
2-[1-chloro-2-(3-methylphenyl)ethyl]-1,3-difluorobenzene
CID 63542188
4-[1-chloro-2-(3-methylphenyl)ethyl]-1-fluoro-2-methoxybenzene
CID 81284301
1-(3-fluorophenyl)-2-(3-methylphenyl)ethanamine
CID 54945902
1-[2-chloro-2-[4-(2-methoxyethyl)phenyl]ethyl]-3-methylbenzene
CID 63429653
1-butoxy-4-[1-chloro-2-(3-methylphenyl)ethyl]benzene
CID 63543740
1-chloro-2-[1-chloro-2-(3-methylphenyl)ethyl]-5-fluoro-4-methylbenzene
CID 81050258
2-bromo-6-[1-chloro-2-(3-methylphenyl)ethyl]naphthalene
CID 115354481
2-[(3,5-difluorophenyl)methyl]-N-methyl-3-(3-methylphenyl)propan-1-amine
CID 105408067
1-(2-chlorobutyl)-3-methylbenzene
CID 63016853
5-[1-chloro-2-(3-methylphenyl)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 62388732
2-bromo-4-[1-chloro-2-(3-methylphenyl)ethyl]-1-methoxybenzene
CID 55200198

Frequently Asked Questions

What is the IUPAC name of 1-[1-chloro-2-(3-methylphenyl)ethyl]-3,5-difluorobenzene?
The IUPAC name of 1-[1-chloro-2-(3-methylphenyl)ethyl]-3,5-difluorobenzene (CID 63542357) is 1-[1-chloro-2-(3-methylphenyl)ethyl]-3,5-difluorobenzene.
What is the SMILES notation for 1-[1-chloro-2-(3-methylphenyl)ethyl]-3,5-difluorobenzene?
The canonical SMILES for 1-[1-chloro-2-(3-methylphenyl)ethyl]-3,5-difluorobenzene is Cc1cccc(CC(Cl)c2cc(F)cc(F)c2)c1.
What is the InChIKey of 1-[1-chloro-2-(3-methylphenyl)ethyl]-3,5-difluorobenzene?
The InChIKey is AFZIJAICPNDURK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF2/c1-10-3-2-4-11(5-10)6-15(16)12-7-13(17)9-14(18)8-12/h2-5,7-9,15H,6H2,1H3.
What are the key properties of 1-[1-chloro-2-(3-methylphenyl)ethyl]-3,5-difluorobenzene?
1-[1-chloro-2-(3-methylphenyl)ethyl]-3,5-difluorobenzene has a molecular weight of 266.72 g/mol, XLogP of 4.80, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-chloro-2-(3-methylphenyl)ethyl]-3,5-difluorobenzene is sourced from PubChem (CID 63542357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).