1-[1-chloro-2-(2-fluorophenyl)ethyl]-3-fluoro-5-methylbenzene

C15H13ClF2 — CID 113396019

IUPAC1-[1-chloro-2-(2-fluorophenyl)ethyl]-3-fluoro-5-methylbenzene
SMILESCc1cc(F)cc(C(Cl)Cc2ccccc2F)c1
InChIInChI=1S/C15H13ClF2/c1-10-6-12(8-13(17)7-10)14(16)9-11-4-2-3-5-15(11)18/h2-8,14H,9H2,1H3
InChIKeyIRSHGLQJCOHTAE-UHFFFAOYSA-N
MW266.72 g/mol
LogP4.80
Rot. Bonds3

About 1-[1-chloro-2-(2-fluorophenyl)ethyl]-3-fluoro-5-methylbenzene

1-[1-chloro-2-(2-fluorophenyl)ethyl]-3-fluoro-5-methylbenzene (PubChem CID 113396019) has the molecular formula C15H13ClF2 and a molecular weight of 266.72 g/mol. Its IUPAC name is 1-[1-chloro-2-(2-fluorophenyl)ethyl]-3-fluoro-5-methylbenzene.

Molecular Properties

Compound Name1-[1-chloro-2-(2-fluorophenyl)ethyl]-3-fluoro-5-methylbenzene
PubChem CID113396019
Molecular FormulaC15H13ClF2
Molecular Weight266.72 g/mol
Exact Mass266.07
IUPAC Name1-[1-chloro-2-(2-fluorophenyl)ethyl]-3-fluoro-5-methylbenzene
SMILESCc1cc(F)cc(C(Cl)Cc2ccccc2F)c1
InChIInChI=1S/C15H13ClF2/c1-10-6-12(8-13(17)7-10)14(16)9-11-4-2-3-5-15(11)18/h2-8,14H,9H2,1H3
InChIKeyIRSHGLQJCOHTAE-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'}

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Related Compounds

5-[1-chloro-2-(2-fluorophenyl)ethyl]-1,2,3-trifluorobenzene
CID 55223503
4-[1-chloro-2-(2-fluorophenyl)ethyl]-1-fluoro-2-methylbenzene
CID 63542318
1-bromo-4-[1-chloro-2-(2-fluorophenyl)ethyl]-2-methylbenzene
CID 113396989
4-[1-chloro-2-(2-fluorophenyl)ethyl]-2-methylfuran
CID 114822972
1-chloro-3-[1-chloro-2-(2-methylphenyl)ethyl]-5-methylbenzene
CID 81324901
1-[1-chloro-2-(2-fluorophenyl)ethyl]-4-propan-2-ylbenzene
CID 63434643
1-[1-chloro-2-(2-fluorophenyl)ethyl]-2-methylbenzene
CID 63543185
4-[1-chloro-2-(2-fluorophenyl)ethyl]pyridine
CID 63018718
1-(3-chloro-5-fluorophenyl)-2-(2-fluorophenyl)ethanol
CID 114454010
1-[1-chloro-2-(3-methylphenyl)ethyl]-3,5-difluorobenzene
CID 63542357
1-[1-chloro-2-(3-fluorophenyl)ethyl]-3,5-dimethylbenzene
CID 55225396
2-[1-chloro-2-(2-methylphenyl)ethyl]-5-fluoro-1,3-dimethylbenzene
CID 106879668

Frequently Asked Questions

What is the IUPAC name of 1-[1-chloro-2-(2-fluorophenyl)ethyl]-3-fluoro-5-methylbenzene?
The IUPAC name of 1-[1-chloro-2-(2-fluorophenyl)ethyl]-3-fluoro-5-methylbenzene (CID 113396019) is 1-[1-chloro-2-(2-fluorophenyl)ethyl]-3-fluoro-5-methylbenzene.
What is the SMILES notation for 1-[1-chloro-2-(2-fluorophenyl)ethyl]-3-fluoro-5-methylbenzene?
The canonical SMILES for 1-[1-chloro-2-(2-fluorophenyl)ethyl]-3-fluoro-5-methylbenzene is Cc1cc(F)cc(C(Cl)Cc2ccccc2F)c1.
What is the InChIKey of 1-[1-chloro-2-(2-fluorophenyl)ethyl]-3-fluoro-5-methylbenzene?
The InChIKey is IRSHGLQJCOHTAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF2/c1-10-6-12(8-13(17)7-10)14(16)9-11-4-2-3-5-15(11)18/h2-8,14H,9H2,1H3.
What are the key properties of 1-[1-chloro-2-(2-fluorophenyl)ethyl]-3-fluoro-5-methylbenzene?
1-[1-chloro-2-(2-fluorophenyl)ethyl]-3-fluoro-5-methylbenzene 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-(2-fluorophenyl)ethyl]-3-fluoro-5-methylbenzene is sourced from PubChem (CID 113396019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).