1-chloro-4-[1-chloro-3-[4-(trifluoromethyl)phenyl]propan-2-yl]benzene

C16H13Cl2F3 — CID 79433390

IUPAC1-chloro-4-[1-chloro-3-[4-(trifluoromethyl)phenyl]propan-2-yl]benzene
SMILESFC(F)(F)c1ccc(CC(CCl)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H13Cl2F3/c17-10-13(12-3-7-15(18)8-4-12)9-11-1-5-14(6-2-11)16(19,20)21/h1-8,13H,9-10H2
InChIKeyLJUHJPCAXUUSQW-UHFFFAOYSA-N
MW333.18 g/mol
LogP5.92
Rot. Bonds4

About 1-chloro-4-[1-chloro-3-[4-(trifluoromethyl)phenyl]propan-2-yl]benzene

1-chloro-4-[1-chloro-3-[4-(trifluoromethyl)phenyl]propan-2-yl]benzene (PubChem CID 79433390) has the molecular formula C16H13Cl2F3 and a molecular weight of 333.18 g/mol. Its IUPAC name is 1-chloro-4-[1-chloro-3-[4-(trifluoromethyl)phenyl]propan-2-yl]benzene.

Molecular Properties

Compound Name1-chloro-4-[1-chloro-3-[4-(trifluoromethyl)phenyl]propan-2-yl]benzene
PubChem CID79433390
Molecular FormulaC16H13Cl2F3
Molecular Weight333.18 g/mol
Exact Mass332.03
IUPAC Name1-chloro-4-[1-chloro-3-[4-(trifluoromethyl)phenyl]propan-2-yl]benzene
SMILESFC(F)(F)c1ccc(CC(CCl)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H13Cl2F3/c17-10-13(12-3-7-15(18)8-4-12)9-11-1-5-14(6-2-11)16(19,20)21/h1-8,13H,9-10H2
InChIKeyLJUHJPCAXUUSQW-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-bromo-4-[1-chloro-3-(4-chlorophenyl)propan-2-yl]benzene
CID 79434869
1-chloro-4-(1,3-dichloropropan-2-yl)benzene
CID 79452794
1-[1-bromo-3-(4-tert-butylphenyl)propan-2-yl]-4-chlorobenzene
CID 79433622
chloromethane;1-chloro-4-(trifluoromethyl)benzene
CID 162019017
1-bromo-4-[1-(4-bromophenyl)-3-chloropropan-2-yl]benzene
CID 79435566
1-[3-bromo-2-(3-chlorophenyl)propyl]-4-(trifluoromethyl)benzene
CID 79432715
N-[(4-chlorophenyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 29042343
2-(3-chloro-4-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 103043034
4-[1-bromo-2-[4-(trifluoromethyl)phenyl]ethyl]-1-chloro-2-fluorobenzene
CID 107993438
1-[2-chloro-2-(4-ethylphenyl)ethyl]-4-(trifluoromethyl)benzene
CID 63431717
[1-(5-chloro-2-pyridinyl)-2-[4-(trifluoromethyl)phenyl]ethyl]hydrazine
CID 105251515
2-[1-bromo-2-[4-(trifluoromethyl)phenyl]ethyl]-1,4-dichlorobenzene
CID 63444582

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[1-chloro-3-[4-(trifluoromethyl)phenyl]propan-2-yl]benzene?
The IUPAC name of 1-chloro-4-[1-chloro-3-[4-(trifluoromethyl)phenyl]propan-2-yl]benzene (CID 79433390) is 1-chloro-4-[1-chloro-3-[4-(trifluoromethyl)phenyl]propan-2-yl]benzene.
What is the SMILES notation for 1-chloro-4-[1-chloro-3-[4-(trifluoromethyl)phenyl]propan-2-yl]benzene?
The canonical SMILES for 1-chloro-4-[1-chloro-3-[4-(trifluoromethyl)phenyl]propan-2-yl]benzene is FC(F)(F)c1ccc(CC(CCl)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-chloro-4-[1-chloro-3-[4-(trifluoromethyl)phenyl]propan-2-yl]benzene?
The InChIKey is LJUHJPCAXUUSQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2F3/c17-10-13(12-3-7-15(18)8-4-12)9-11-1-5-14(6-2-11)16(19,20)21/h1-8,13H,9-10H2.
What are the key properties of 1-chloro-4-[1-chloro-3-[4-(trifluoromethyl)phenyl]propan-2-yl]benzene?
1-chloro-4-[1-chloro-3-[4-(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-4-[1-chloro-3-[4-(trifluoromethyl)phenyl]propan-2-yl]benzene is sourced from PubChem (CID 79433390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).