1-(2-chloro-2-phenylethyl)-3-(trifluoromethyl)benzene

C15H12ClF3 — CID 4737547

IUPAC1-(2-chloro-2-phenylethyl)-3-(trifluoromethyl)benzene
SMILESFC(F)(F)c1cccc(CC(Cl)c2ccccc2)c1
InChIInChI=1S/C15H12ClF3/c16-14(12-6-2-1-3-7-12)10-11-5-4-8-13(9-11)15(17,18)19/h1-9,14H,10H2
InChIKeyOKUMEGHQSLOFMB-UHFFFAOYSA-N
MW284.71 g/mol
LogP5.23
Rot. Bonds3

About 1-(2-chloro-2-phenylethyl)-3-(trifluoromethyl)benzene

1-(2-chloro-2-phenylethyl)-3-(trifluoromethyl)benzene (PubChem CID 4737547) has the molecular formula C15H12ClF3 and a molecular weight of 284.71 g/mol. Its IUPAC name is 1-(2-chloro-2-phenylethyl)-3-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-(2-chloro-2-phenylethyl)-3-(trifluoromethyl)benzene
PubChem CID4737547
Molecular FormulaC15H12ClF3
Molecular Weight284.71 g/mol
Exact Mass284.06
IUPAC Name1-(2-chloro-2-phenylethyl)-3-(trifluoromethyl)benzene
SMILESFC(F)(F)c1cccc(CC(Cl)c2ccccc2)c1
InChIInChI=1S/C15H12ClF3/c16-14(12-6-2-1-3-7-12)10-11-5-4-8-13(9-11)15(17,18)19/h1-9,14H,10H2
InChIKeyOKUMEGHQSLOFMB-UHFFFAOYSA-N
XLogP5.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.71
LogP ≤ 55.23
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

2-phenyl-3-[3-(trifluoromethyl)phenyl]propanoic acid
CID 65431890
1-(2-benzyl-3-chloropropyl)-3-(trifluoromethyl)benzene
CID 66033607
1-chloro-3-(2-chloro-2-phenylethyl)benzene
CID 4737542
1-(3-bromo-2-methyl-3-phenylpropyl)-3-(trifluoromethyl)benzene
CID 104846538
2-phenyl-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 43825128
triphenyl-[[3-(trifluoromethyl)phenyl]methyl]phosphanium
CID 11114323
(2R)-1-chloro-3-[3-(trifluoromethyl)phenyl]propan-2-ol
CID 58689696
(1S)-1-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenyl]ethanol
CID 121456490
(2S)-1,1,1-trifluoro-3-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 96706913
[(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]azanium
CID 38988975
1-(2-iodopropyl)-3-(trifluoromethyl)benzene
CID 135032501
1-(2-bromopropyl)-3-(trifluoromethyl)benzene
CID 14025642

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-2-phenylethyl)-3-(trifluoromethyl)benzene?
The IUPAC name of 1-(2-chloro-2-phenylethyl)-3-(trifluoromethyl)benzene (CID 4737547) is 1-(2-chloro-2-phenylethyl)-3-(trifluoromethyl)benzene.
What is the SMILES notation for 1-(2-chloro-2-phenylethyl)-3-(trifluoromethyl)benzene?
The canonical SMILES for 1-(2-chloro-2-phenylethyl)-3-(trifluoromethyl)benzene is FC(F)(F)c1cccc(CC(Cl)c2ccccc2)c1.
What is the InChIKey of 1-(2-chloro-2-phenylethyl)-3-(trifluoromethyl)benzene?
The InChIKey is OKUMEGHQSLOFMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF3/c16-14(12-6-2-1-3-7-12)10-11-5-4-8-13(9-11)15(17,18)19/h1-9,14H,10H2.
What are the key properties of 1-(2-chloro-2-phenylethyl)-3-(trifluoromethyl)benzene?
1-(2-chloro-2-phenylethyl)-3-(trifluoromethyl)benzene has a molecular weight of 284.71 g/mol, XLogP of 5.23, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-2-phenylethyl)-3-(trifluoromethyl)benzene is sourced from PubChem (CID 4737547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).