1-chloro-2-[1-chloro-3-[3-(trifluoromethyl)phenyl]propan-2-yl]benzene

C16H13Cl2F3 — CID 79437571

IUPAC1-chloro-2-[1-chloro-3-[3-(trifluoromethyl)phenyl]propan-2-yl]benzene
SMILESFC(F)(F)c1cccc(CC(CCl)c2ccccc2Cl)c1
InChIInChI=1S/C16H13Cl2F3/c17-10-12(14-6-1-2-7-15(14)18)8-11-4-3-5-13(9-11)16(19,20)21/h1-7,9,12H,8,10H2
InChIKeyQNVGLCASKXVBOT-UHFFFAOYSA-N
MW333.18 g/mol
LogP5.92
Rot. Bonds4

About 1-chloro-2-[1-chloro-3-[3-(trifluoromethyl)phenyl]propan-2-yl]benzene

1-chloro-2-[1-chloro-3-[3-(trifluoromethyl)phenyl]propan-2-yl]benzene (PubChem CID 79437571) has the molecular formula C16H13Cl2F3 and a molecular weight of 333.18 g/mol. Its IUPAC name is 1-chloro-2-[1-chloro-3-[3-(trifluoromethyl)phenyl]propan-2-yl]benzene.

Molecular Properties

Compound Name1-chloro-2-[1-chloro-3-[3-(trifluoromethyl)phenyl]propan-2-yl]benzene
PubChem CID79437571
Molecular FormulaC16H13Cl2F3
Molecular Weight333.18 g/mol
Exact Mass332.03
IUPAC Name1-chloro-2-[1-chloro-3-[3-(trifluoromethyl)phenyl]propan-2-yl]benzene
SMILESFC(F)(F)c1cccc(CC(CCl)c2ccccc2Cl)c1
InChIInChI=1S/C16H13Cl2F3/c17-10-12(14-6-1-2-7-15(14)18)8-11-4-3-5-13(9-11)16(19,20)21/h1-7,9,12H,8,10H2
InChIKeyQNVGLCASKXVBOT-UHFFFAOYSA-N
XLogP5.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.18
LogP ≤ 55.92
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

1,2-dichloro-4-[3-chloro-2-(2-chlorophenyl)propyl]benzene
CID 79454700
2-chloro-4-[3-chloro-2-(2-chlorophenyl)propyl]-1-fluorobenzene
CID 103042096
1-(2-benzyl-3-chloropropyl)-3-(trifluoromethyl)benzene
CID 66033607
2-amino-3-(2-chlorophenyl)-2-(hydroxymethyl)-4-[3-(trifluoromethyl)phenyl]butanoic acid
CID 57077928
1-bromo-3-[1-chloro-3-[3-(trifluoromethyl)phenyl]propan-2-yl]benzene
CID 79430597
1-(3-chloro-2-fluorophenyl)-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 64713286
(2R)-1-chloro-3-[3-(trifluoromethyl)phenyl]propan-2-ol
CID 58689696
(1S)-1-(2-chlorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine
CID 28530583
1-(2-fluorophenyl)-2-[3-(trifluoromethyl)phenyl]ethanol
CID 63084701
1-(2-chloro-2-phenylethyl)-3-(trifluoromethyl)benzene
CID 4737547
2-chloro-1-[3-chloro-2-(2-chlorophenyl)propyl]-4-fluorobenzene
CID 79455239
1-(4-chloro-3-methylbutyl)-3-(trifluoromethyl)benzene
CID 64665255

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-[1-chloro-3-[3-(trifluoromethyl)phenyl]propan-2-yl]benzene?
The IUPAC name of 1-chloro-2-[1-chloro-3-[3-(trifluoromethyl)phenyl]propan-2-yl]benzene (CID 79437571) is 1-chloro-2-[1-chloro-3-[3-(trifluoromethyl)phenyl]propan-2-yl]benzene.
What is the SMILES notation for 1-chloro-2-[1-chloro-3-[3-(trifluoromethyl)phenyl]propan-2-yl]benzene?
The canonical SMILES for 1-chloro-2-[1-chloro-3-[3-(trifluoromethyl)phenyl]propan-2-yl]benzene is FC(F)(F)c1cccc(CC(CCl)c2ccccc2Cl)c1.
What is the InChIKey of 1-chloro-2-[1-chloro-3-[3-(trifluoromethyl)phenyl]propan-2-yl]benzene?
The InChIKey is QNVGLCASKXVBOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2F3/c17-10-12(14-6-1-2-7-15(14)18)8-11-4-3-5-13(9-11)16(19,20)21/h1-7,9,12H,8,10H2.
What are the key properties of 1-chloro-2-[1-chloro-3-[3-(trifluoromethyl)phenyl]propan-2-yl]benzene?
1-chloro-2-[1-chloro-3-[3-(trifluoromethyl)phenyl]propan-2-yl]benzene has a molecular weight of 333.18 g/mol, XLogP of 5.92, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-[1-chloro-3-[3-(trifluoromethyl)phenyl]propan-2-yl]benzene is sourced from PubChem (CID 79437571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).