1,2,4-trichloro-5-[2-(difluoromethyl)-6-(trifluoromethyl)phenyl]benzene

C14H6Cl3F5 — CID 134631103

IUPAC1,2,4-trichloro-5-[2-(difluoromethyl)-6-(trifluoromethyl)phenyl]benzene
SMILESFC(F)c1cccc(C(F)(F)F)c1-c1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C14H6Cl3F5/c15-9-5-11(17)10(16)4-7(9)12-6(13(18)19)2-1-3-8(12)14(20,21)22/h1-5,13H
InChIKeyOPRVOCMSCHJROY-UHFFFAOYSA-N
MW375.55 g/mol
LogP7.27
Rot. Bonds2

About 1,2,4-trichloro-5-[2-(difluoromethyl)-6-(trifluoromethyl)phenyl]benzene

1,2,4-trichloro-5-[2-(difluoromethyl)-6-(trifluoromethyl)phenyl]benzene (PubChem CID 134631103) has the molecular formula C14H6Cl3F5 and a molecular weight of 375.55 g/mol. Its IUPAC name is 1,2,4-trichloro-5-[2-(difluoromethyl)-6-(trifluoromethyl)phenyl]benzene.

Molecular Properties

Compound Name1,2,4-trichloro-5-[2-(difluoromethyl)-6-(trifluoromethyl)phenyl]benzene
PubChem CID134631103
Molecular FormulaC14H6Cl3F5
Molecular Weight375.55 g/mol
Exact Mass373.95
IUPAC Name1,2,4-trichloro-5-[2-(difluoromethyl)-6-(trifluoromethyl)phenyl]benzene
SMILESFC(F)c1cccc(C(F)(F)F)c1-c1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C14H6Cl3F5/c15-9-5-11(17)10(16)4-7(9)12-6(13(18)19)2-1-3-8(12)14(20,21)22/h1-5,13H
InChIKeyOPRVOCMSCHJROY-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-[4-(difluoromethyl)-3-(trifluoromethyl)phenyl]benzene
CID 134628127
1-(difluoromethyl)-3-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]benzene
CID 119002321
1-(difluoromethyl)-2-fluoro-3-(trifluoromethyl)benzene;hydrofluoride
CID 174776412
2-(2,4,5-trichlorophenyl)-3-(trifluoromethyl)pyridine
CID 118847520
2,6-bis(2,4,5-trichlorophenyl)-3-(trifluoromethyl)pyridine
CID 134618234
1,2,5-trichloro-3-[2-chloro-6-(difluoromethyl)phenyl]benzene
CID 134617250
1,2,3-trichloro-5-[2-chloro-6-(trifluoromethyl)phenyl]benzene
CID 134622946
1,2,4-trichloro-5-[3-fluoro-4-(trifluoromethyl)phenyl]benzene
CID 134626732
1,2,4-trichloro-5-[3-(difluoromethyl)-4-methoxyphenyl]benzene
CID 134626671
2-(2,6-dichlorophenyl)-1-[2-(trifluoromethyl)phenyl]ethanol
CID 63411008
2,4-dichloro-1-[2-chloro-3-(trifluoromethyl)phenyl]benzene
CID 119002255
2-chloro-4-(difluoromethyl)-5-(trifluoromethyl)aniline
CID 118993786

Frequently Asked Questions

What is the IUPAC name of 1,2,4-trichloro-5-[2-(difluoromethyl)-6-(trifluoromethyl)phenyl]benzene?
The IUPAC name of 1,2,4-trichloro-5-[2-(difluoromethyl)-6-(trifluoromethyl)phenyl]benzene (CID 134631103) is 1,2,4-trichloro-5-[2-(difluoromethyl)-6-(trifluoromethyl)phenyl]benzene.
What is the SMILES notation for 1,2,4-trichloro-5-[2-(difluoromethyl)-6-(trifluoromethyl)phenyl]benzene?
The canonical SMILES for 1,2,4-trichloro-5-[2-(difluoromethyl)-6-(trifluoromethyl)phenyl]benzene is FC(F)c1cccc(C(F)(F)F)c1-c1cc(Cl)c(Cl)cc1Cl.
What is the InChIKey of 1,2,4-trichloro-5-[2-(difluoromethyl)-6-(trifluoromethyl)phenyl]benzene?
The InChIKey is OPRVOCMSCHJROY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6Cl3F5/c15-9-5-11(17)10(16)4-7(9)12-6(13(18)19)2-1-3-8(12)14(20,21)22/h1-5,13H.
What are the key properties of 1,2,4-trichloro-5-[2-(difluoromethyl)-6-(trifluoromethyl)phenyl]benzene?
1,2,4-trichloro-5-[2-(difluoromethyl)-6-(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-[2-(difluoromethyl)-6-(trifluoromethyl)phenyl]benzene is sourced from PubChem (CID 134631103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).