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

C14H6Cl3F5 — CID 118828795

IUPAC1,3,5-trichloro-2-[4-(difluoromethyl)-2-(trifluoromethyl)phenyl]benzene
SMILESFC(F)c1ccc(-c2c(Cl)cc(Cl)cc2Cl)c(C(F)(F)F)c1
InChIInChI=1S/C14H6Cl3F5/c15-7-4-10(16)12(11(17)5-7)8-2-1-6(13(18)19)3-9(8)14(20,21)22/h1-5,13H
InChIKeyPMPIZBQIHVXQHY-UHFFFAOYSA-N
MW375.55 g/mol
LogP7.27
Rot. Bonds2

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

1,3,5-trichloro-2-[4-(difluoromethyl)-2-(trifluoromethyl)phenyl]benzene (PubChem CID 118828795) has the molecular formula C14H6Cl3F5 and a molecular weight of 375.55 g/mol. Its IUPAC name is 1,3,5-trichloro-2-[4-(difluoromethyl)-2-(trifluoromethyl)phenyl]benzene.

Molecular Properties

Compound Name1,3,5-trichloro-2-[4-(difluoromethyl)-2-(trifluoromethyl)phenyl]benzene
PubChem CID118828795
Molecular FormulaC14H6Cl3F5
Molecular Weight375.55 g/mol
Exact Mass373.95
IUPAC Name1,3,5-trichloro-2-[4-(difluoromethyl)-2-(trifluoromethyl)phenyl]benzene
SMILESFC(F)c1ccc(-c2c(Cl)cc(Cl)cc2Cl)c(C(F)(F)F)c1
InChIInChI=1S/C14H6Cl3F5/c15-7-4-10(16)12(11(17)5-7)8-2-1-6(13(18)19)3-9(8)14(20,21)22/h1-5,13H
InChIKeyPMPIZBQIHVXQHY-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

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Related Compounds

1,3-dichloro-2-[2-chloro-4-(difluoromethyl)phenyl]benzene
CID 119017107
1,3-dichloro-2-[4-iodo-2-(trifluoromethyl)phenyl]benzene
CID 118994725
5-chloro-2-(difluoromethyl)-1,3-bis(trifluoromethyl)benzene
CID 119001959
1-[4-[4-chloro-2-(trifluoromethyl)phenyl]phenyl]ethanamine
CID 168665303
1,2,4-trichloro-5-[2-chloro-4-(difluoromethyl)phenyl]benzene
CID 134628125
1,3,5-trichloro-2-[2-chloro-4-(difluoromethoxy)phenyl]benzene
CID 134627689
4-(difluoromethyl)-2-(trifluoromethyl)benzaldehyde
CID 139026919
(1S,2R)-1-amino-1-[4-chloro-3-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride
CID 171269007
(1R)-1-[3-chloro-4-(trifluoromethyl)phenyl]-2-methylpropan-1-amine
CID 131415614
1,2-dichloro-4-[4-chloro-2-(trifluoromethyl)phenyl]benzene
CID 134627973
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-methylbutan-1-ol
CID 156849313
2,6-bis(2,4,6-trichlorophenyl)-3-(trifluoromethyl)pyridine
CID 134635943

Frequently Asked Questions

What is the IUPAC name of 1,3,5-trichloro-2-[4-(difluoromethyl)-2-(trifluoromethyl)phenyl]benzene?
The IUPAC name of 1,3,5-trichloro-2-[4-(difluoromethyl)-2-(trifluoromethyl)phenyl]benzene (CID 118828795) is 1,3,5-trichloro-2-[4-(difluoromethyl)-2-(trifluoromethyl)phenyl]benzene.
What is the SMILES notation for 1,3,5-trichloro-2-[4-(difluoromethyl)-2-(trifluoromethyl)phenyl]benzene?
The canonical SMILES for 1,3,5-trichloro-2-[4-(difluoromethyl)-2-(trifluoromethyl)phenyl]benzene is FC(F)c1ccc(-c2c(Cl)cc(Cl)cc2Cl)c(C(F)(F)F)c1.
What is the InChIKey of 1,3,5-trichloro-2-[4-(difluoromethyl)-2-(trifluoromethyl)phenyl]benzene?
The InChIKey is PMPIZBQIHVXQHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6Cl3F5/c15-7-4-10(16)12(11(17)5-7)8-2-1-6(13(18)19)3-9(8)14(20,21)22/h1-5,13H.
What are the key properties of 1,3,5-trichloro-2-[4-(difluoromethyl)-2-(trifluoromethyl)phenyl]benzene?
1,3,5-trichloro-2-[4-(difluoromethyl)-2-(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 1,3,5-trichloro-2-[4-(difluoromethyl)-2-(trifluoromethyl)phenyl]benzene is sourced from PubChem (CID 118828795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).