4-[1-chloro-2-(2-fluorophenyl)ethyl]-1-fluoro-2-methylbenzene

C15H13ClF2 — CID 63542318

IUPAC4-[1-chloro-2-(2-fluorophenyl)ethyl]-1-fluoro-2-methylbenzene
SMILESCc1cc(C(Cl)Cc2ccccc2F)ccc1F
InChIInChI=1S/C15H13ClF2/c1-10-8-11(6-7-14(10)17)13(16)9-12-4-2-3-5-15(12)18/h2-8,13H,9H2,1H3
InChIKeyAHZAGZJEAMPLGW-UHFFFAOYSA-N
MW266.72 g/mol
LogP4.80
Rot. Bonds3

About 4-[1-chloro-2-(2-fluorophenyl)ethyl]-1-fluoro-2-methylbenzene

4-[1-chloro-2-(2-fluorophenyl)ethyl]-1-fluoro-2-methylbenzene (PubChem CID 63542318) has the molecular formula C15H13ClF2 and a molecular weight of 266.72 g/mol. Its IUPAC name is 4-[1-chloro-2-(2-fluorophenyl)ethyl]-1-fluoro-2-methylbenzene.

Molecular Properties

Compound Name4-[1-chloro-2-(2-fluorophenyl)ethyl]-1-fluoro-2-methylbenzene
PubChem CID63542318
Molecular FormulaC15H13ClF2
Molecular Weight266.72 g/mol
Exact Mass266.07
IUPAC Name4-[1-chloro-2-(2-fluorophenyl)ethyl]-1-fluoro-2-methylbenzene
SMILESCc1cc(C(Cl)Cc2ccccc2F)ccc1F
InChIInChI=1S/C15H13ClF2/c1-10-8-11(6-7-14(10)17)13(16)9-12-4-2-3-5-15(12)18/h2-8,13H,9H2,1H3
InChIKeyAHZAGZJEAMPLGW-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

1-bromo-4-[1-chloro-2-(2-fluorophenyl)ethyl]-2-methylbenzene
CID 113396989
4-[1-chloro-2-(2-methoxyphenyl)ethyl]-1-fluoro-2-methylbenzene
CID 63543003
1-[1-chloro-2-(2-fluorophenyl)ethyl]-4-propan-2-ylbenzene
CID 63434643
1-bromo-4-[1-chloro-2-(2,3-difluorophenyl)ethyl]-2-methylbenzene
CID 113396998
1-[1-chloro-2-(2-fluorophenyl)ethyl]-3-fluoro-5-methylbenzene
CID 113396019
2-bromo-6-[1-chloro-2-(2-fluorophenyl)ethyl]naphthalene
CID 115354476
4-[1-chloro-2-(2-fluorophenyl)ethyl]-2-methylfuran
CID 114822972
5-[1-chloro-2-(2-fluorophenyl)ethyl]-1,2,3-trifluorobenzene
CID 55223503
1-[1-chloro-2-(2-fluorophenyl)ethyl]-2-methylbenzene
CID 63543185
2-bromo-5-[1-chloro-2-(2-fluorophenyl)ethyl]-3-methylthiophene
CID 79996776
5-[1-chloro-2-(2-fluorophenyl)ethyl]-1,3-dihydroindol-2-one
CID 61086410
4-[1-chloro-2-(2-fluorophenyl)ethyl]pyridine
CID 63018718

Frequently Asked Questions

What is the IUPAC name of 4-[1-chloro-2-(2-fluorophenyl)ethyl]-1-fluoro-2-methylbenzene?
The IUPAC name of 4-[1-chloro-2-(2-fluorophenyl)ethyl]-1-fluoro-2-methylbenzene (CID 63542318) is 4-[1-chloro-2-(2-fluorophenyl)ethyl]-1-fluoro-2-methylbenzene.
What is the SMILES notation for 4-[1-chloro-2-(2-fluorophenyl)ethyl]-1-fluoro-2-methylbenzene?
The canonical SMILES for 4-[1-chloro-2-(2-fluorophenyl)ethyl]-1-fluoro-2-methylbenzene is Cc1cc(C(Cl)Cc2ccccc2F)ccc1F.
What is the InChIKey of 4-[1-chloro-2-(2-fluorophenyl)ethyl]-1-fluoro-2-methylbenzene?
The InChIKey is AHZAGZJEAMPLGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF2/c1-10-8-11(6-7-14(10)17)13(16)9-12-4-2-3-5-15(12)18/h2-8,13H,9H2,1H3.
What are the key properties of 4-[1-chloro-2-(2-fluorophenyl)ethyl]-1-fluoro-2-methylbenzene?
4-[1-chloro-2-(2-fluorophenyl)ethyl]-1-fluoro-2-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 4-[1-chloro-2-(2-fluorophenyl)ethyl]-1-fluoro-2-methylbenzene is sourced from PubChem (CID 63542318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).