1,2,3-trichloro-4-[2-fluoro-6-(trifluoromethyl)phenyl]benzene

C13H5Cl3F4 — CID 134631155

IUPAC1,2,3-trichloro-4-[2-fluoro-6-(trifluoromethyl)phenyl]benzene
SMILESFc1cccc(C(F)(F)F)c1-c1ccc(Cl)c(Cl)c1Cl
InChIInChI=1S/C13H5Cl3F4/c14-8-5-4-6(11(15)12(8)16)10-7(13(18,19)20)2-1-3-9(10)17/h1-5H
InChIKeyHDCKMMVCUOTHHE-UHFFFAOYSA-N
MW343.53 g/mol
LogP6.47
Rot. Bonds1

About 1,2,3-trichloro-4-[2-fluoro-6-(trifluoromethyl)phenyl]benzene

1,2,3-trichloro-4-[2-fluoro-6-(trifluoromethyl)phenyl]benzene (PubChem CID 134631155) has the molecular formula C13H5Cl3F4 and a molecular weight of 343.53 g/mol. Its IUPAC name is 1,2,3-trichloro-4-[2-fluoro-6-(trifluoromethyl)phenyl]benzene.

Molecular Properties

Compound Name1,2,3-trichloro-4-[2-fluoro-6-(trifluoromethyl)phenyl]benzene
PubChem CID134631155
Molecular FormulaC13H5Cl3F4
Molecular Weight343.53 g/mol
Exact Mass341.94
IUPAC Name1,2,3-trichloro-4-[2-fluoro-6-(trifluoromethyl)phenyl]benzene
SMILESFc1cccc(C(F)(F)F)c1-c1ccc(Cl)c(Cl)c1Cl
InChIInChI=1S/C13H5Cl3F4/c14-8-5-4-6(11(15)12(8)16)10-7(13(18,19)20)2-1-3-9(10)17/h1-5H
InChIKeyHDCKMMVCUOTHHE-UHFFFAOYSA-N
XLogP6.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.53
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1,3-difluoro-2-[2-(trifluoromethyl)phenyl]benzene
CID 118991852
1,2-dichloro-3-[2-nitro-6-(trifluoromethyl)phenyl]benzene
CID 118995063
1-fluoro-2-[2-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)benzene
CID 134631115
1,2,3-trichloro-4-[2-(difluoromethoxy)-3-fluorophenyl]benzene
CID 118826152
1,2-difluoro-3-[2-methyl-6-(trifluoromethyl)phenyl]benzene
CID 118843388
2,4-dichloro-1-[2-chloro-3-(trifluoromethyl)phenyl]benzene
CID 119002255
3-chloro-5-fluoro-4-(2,3,4-trichlorophenyl)pyridine
CID 133090143
1,2,3-trichloro-5-[2-chloro-6-(trifluoromethyl)phenyl]benzene
CID 134622946
1,2-dichloro-3-methyl-4-(trifluoromethyl)benzene
CID 14745915
1-fluoro-4-(2,3,4-trichlorophenyl)naphthalene
CID 118847360
1-[4-chloro-2-(trifluoromethyl)phenyl]-2,3-difluorobenzene
CID 118822699
1,2-dichloro-3-[5-chloro-2-(trifluoromethyl)phenyl]benzene
CID 134629579

Frequently Asked Questions

What is the IUPAC name of 1,2,3-trichloro-4-[2-fluoro-6-(trifluoromethyl)phenyl]benzene?
The IUPAC name of 1,2,3-trichloro-4-[2-fluoro-6-(trifluoromethyl)phenyl]benzene (CID 134631155) is 1,2,3-trichloro-4-[2-fluoro-6-(trifluoromethyl)phenyl]benzene.
What is the SMILES notation for 1,2,3-trichloro-4-[2-fluoro-6-(trifluoromethyl)phenyl]benzene?
The canonical SMILES for 1,2,3-trichloro-4-[2-fluoro-6-(trifluoromethyl)phenyl]benzene is Fc1cccc(C(F)(F)F)c1-c1ccc(Cl)c(Cl)c1Cl.
What is the InChIKey of 1,2,3-trichloro-4-[2-fluoro-6-(trifluoromethyl)phenyl]benzene?
The InChIKey is HDCKMMVCUOTHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H5Cl3F4/c14-8-5-4-6(11(15)12(8)16)10-7(13(18,19)20)2-1-3-9(10)17/h1-5H.
What are the key properties of 1,2,3-trichloro-4-[2-fluoro-6-(trifluoromethyl)phenyl]benzene?
1,2,3-trichloro-4-[2-fluoro-6-(trifluoromethyl)phenyl]benzene has a molecular weight of 343.53 g/mol, XLogP of 6.47, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trichloro-4-[2-fluoro-6-(trifluoromethyl)phenyl]benzene is sourced from PubChem (CID 134631155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).