1,2,4-trichloro-5-[4-(difluoromethyl)-3-(trifluoromethyl)phenyl]benzene

C14H6Cl3F5 — CID 134628127

IUPAC1,2,4-trichloro-5-[4-(difluoromethyl)-3-(trifluoromethyl)phenyl]benzene
SMILESFC(F)c1ccc(-c2cc(Cl)c(Cl)cc2Cl)cc1C(F)(F)F
InChIInChI=1S/C14H6Cl3F5/c15-10-5-12(17)11(16)4-8(10)6-1-2-7(13(18)19)9(3-6)14(20,21)22/h1-5,13H
InChIKeyPSWZFCKIKBJVHJ-UHFFFAOYSA-N
MW375.55 g/mol
LogP7.27
Rot. Bonds2

About 1,2,4-trichloro-5-[4-(difluoromethyl)-3-(trifluoromethyl)phenyl]benzene

1,2,4-trichloro-5-[4-(difluoromethyl)-3-(trifluoromethyl)phenyl]benzene (PubChem CID 134628127) has the molecular formula C14H6Cl3F5 and a molecular weight of 375.55 g/mol. Its IUPAC name is 1,2,4-trichloro-5-[4-(difluoromethyl)-3-(trifluoromethyl)phenyl]benzene.

Molecular Properties

Compound Name1,2,4-trichloro-5-[4-(difluoromethyl)-3-(trifluoromethyl)phenyl]benzene
PubChem CID134628127
Molecular FormulaC14H6Cl3F5
Molecular Weight375.55 g/mol
Exact Mass373.95
IUPAC Name1,2,4-trichloro-5-[4-(difluoromethyl)-3-(trifluoromethyl)phenyl]benzene
SMILESFC(F)c1ccc(-c2cc(Cl)c(Cl)cc2Cl)cc1C(F)(F)F
InChIInChI=1S/C14H6Cl3F5/c15-10-5-12(17)11(16)4-8(10)6-1-2-7(13(18)19)9(3-6)14(20,21)22/h1-5,13H
InChIKeyPSWZFCKIKBJVHJ-UHFFFAOYSA-N
XLogP7.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.55
LogP ≤ 57.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1,2,4-trichloro-5-[3-fluoro-4-(trifluoromethyl)phenyl]benzene
CID 134626732
1,2,4-trichloro-5-[2-(difluoromethyl)-6-(trifluoromethyl)phenyl]benzene
CID 134631103
1,2,4-trichloro-5-[3-(difluoromethyl)-4-methoxyphenyl]benzene
CID 134626671
1-[3-(bromomethyl)-4-(trifluoromethyl)phenyl]-2,4,5-trichlorobenzene
CID 134625583
1-(difluoromethyl)-4-fluoro-2-(trifluoromethyl)benzene
CID 46311777
2,6-bis(2,4,5-trichlorophenyl)-3-(trifluoromethyl)pyridine
CID 134618234
5-(2,4,5-trichlorophenyl)-3-(trifluoromethyl)-1H-pyridin-2-one
CID 133091414
1,2-dichloro-4-[4-chloro-3-(trifluoromethyl)phenyl]benzene
CID 118805005
2-chloro-4-(difluoromethyl)-5-(trifluoromethyl)aniline
CID 118993786
2,4-dichloro-1-[4-(difluoromethyl)-3-fluorophenyl]benzene
CID 119008035
2-(2,4,5-trichlorophenyl)-3-(trifluoromethyl)pyridine
CID 118847520
5-(2,4,5-trichlorophenyl)-3-(trifluoromethyl)pyridine-2-carbonitrile
CID 134628594

Frequently Asked Questions

What is the IUPAC name of 1,2,4-trichloro-5-[4-(difluoromethyl)-3-(trifluoromethyl)phenyl]benzene?
The IUPAC name of 1,2,4-trichloro-5-[4-(difluoromethyl)-3-(trifluoromethyl)phenyl]benzene (CID 134628127) is 1,2,4-trichloro-5-[4-(difluoromethyl)-3-(trifluoromethyl)phenyl]benzene.
What is the SMILES notation for 1,2,4-trichloro-5-[4-(difluoromethyl)-3-(trifluoromethyl)phenyl]benzene?
The canonical SMILES for 1,2,4-trichloro-5-[4-(difluoromethyl)-3-(trifluoromethyl)phenyl]benzene is FC(F)c1ccc(-c2cc(Cl)c(Cl)cc2Cl)cc1C(F)(F)F.
What is the InChIKey of 1,2,4-trichloro-5-[4-(difluoromethyl)-3-(trifluoromethyl)phenyl]benzene?
The InChIKey is PSWZFCKIKBJVHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6Cl3F5/c15-10-5-12(17)11(16)4-8(10)6-1-2-7(13(18)19)9(3-6)14(20,21)22/h1-5,13H.
What are the key properties of 1,2,4-trichloro-5-[4-(difluoromethyl)-3-(trifluoromethyl)phenyl]benzene?
1,2,4-trichloro-5-[4-(difluoromethyl)-3-(trifluoromethyl)phenyl]benzene has a molecular weight of 375.55 g/mol, XLogP of 7.27, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4-trichloro-5-[4-(difluoromethyl)-3-(trifluoromethyl)phenyl]benzene is sourced from PubChem (CID 134628127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).