2-(1-chloro-2-phenylethyl)-1,3-difluoro-4-methylbenzene

C15H13ClF2 — CID 82815838

IUPAC2-(1-chloro-2-phenylethyl)-1,3-difluoro-4-methylbenzene
SMILESCc1ccc(F)c(C(Cl)Cc2ccccc2)c1F
InChIInChI=1S/C15H13ClF2/c1-10-7-8-13(17)14(15(10)18)12(16)9-11-5-3-2-4-6-11/h2-8,12H,9H2,1H3
InChIKeyASUPRUBLTGVLEN-UHFFFAOYSA-N
MW266.72 g/mol
LogP4.80
Rot. Bonds3

About 2-(1-chloro-2-phenylethyl)-1,3-difluoro-4-methylbenzene

2-(1-chloro-2-phenylethyl)-1,3-difluoro-4-methylbenzene (PubChem CID 82815838) has the molecular formula C15H13ClF2 and a molecular weight of 266.72 g/mol. Its IUPAC name is 2-(1-chloro-2-phenylethyl)-1,3-difluoro-4-methylbenzene.

Molecular Properties

Compound Name2-(1-chloro-2-phenylethyl)-1,3-difluoro-4-methylbenzene
PubChem CID82815838
Molecular FormulaC15H13ClF2
Molecular Weight266.72 g/mol
Exact Mass266.07
IUPAC Name2-(1-chloro-2-phenylethyl)-1,3-difluoro-4-methylbenzene
SMILESCc1ccc(F)c(C(Cl)Cc2ccccc2)c1F
InChIInChI=1S/C15H13ClF2/c1-10-7-8-13(17)14(15(10)18)12(16)9-11-5-3-2-4-6-11/h2-8,12H,9H2,1H3
InChIKeyASUPRUBLTGVLEN-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

4-[2-chloro-2-(2,6-difluoro-3-methylphenyl)ethyl]pyridine
CID 82818631
2-[1-chloro-2-(3-fluorophenyl)ethyl]-1,3-difluoro-4-methylbenzene
CID 82815468
1-(2,6-difluoro-3-methylphenyl)-N-ethyl-2-phenylethanamine
CID 82815037
2-[1-chloro-2-(3,4-dimethylphenyl)ethyl]-1,3-difluorobenzene
CID 55225008
1-(2,6-difluoro-3-methylphenyl)-3-phenylpropan-1-amine
CID 82822872
2-[1-chloro-2-(3-methylphenyl)ethyl]-1,3-difluorobenzene
CID 63542188
1-(2,6-difluoro-3-methylphenyl)-2-(4-fluorophenyl)ethanamine
CID 82814538
1-(2,6-difluoro-3-methylphenyl)-N-methyl-2-pyridin-4-ylethanamine
CID 82814614
2-(3,4-dichlorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanol
CID 82816292
2-(4-bromophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanol
CID 82815992
2-[1-chloro-2-(4-methoxyphenyl)ethyl]-1,3-difluorobenzene
CID 55149547
1-(2,6-difluoro-3-methylphenyl)-2-(2-fluorophenyl)ethanol
CID 82815536

Frequently Asked Questions

What is the IUPAC name of 2-(1-chloro-2-phenylethyl)-1,3-difluoro-4-methylbenzene?
The IUPAC name of 2-(1-chloro-2-phenylethyl)-1,3-difluoro-4-methylbenzene (CID 82815838) is 2-(1-chloro-2-phenylethyl)-1,3-difluoro-4-methylbenzene.
What is the SMILES notation for 2-(1-chloro-2-phenylethyl)-1,3-difluoro-4-methylbenzene?
The canonical SMILES for 2-(1-chloro-2-phenylethyl)-1,3-difluoro-4-methylbenzene is Cc1ccc(F)c(C(Cl)Cc2ccccc2)c1F.
What is the InChIKey of 2-(1-chloro-2-phenylethyl)-1,3-difluoro-4-methylbenzene?
The InChIKey is ASUPRUBLTGVLEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF2/c1-10-7-8-13(17)14(15(10)18)12(16)9-11-5-3-2-4-6-11/h2-8,12H,9H2,1H3.
What are the key properties of 2-(1-chloro-2-phenylethyl)-1,3-difluoro-4-methylbenzene?
2-(1-chloro-2-phenylethyl)-1,3-difluoro-4-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 2-(1-chloro-2-phenylethyl)-1,3-difluoro-4-methylbenzene is sourced from PubChem (CID 82815838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).