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

C13H5Cl3F4 — CID 134626732

IUPAC1,2,4-trichloro-5-[3-fluoro-4-(trifluoromethyl)phenyl]benzene
SMILESFc1cc(-c2cc(Cl)c(Cl)cc2Cl)ccc1C(F)(F)F
InChIInChI=1S/C13H5Cl3F4/c14-9-5-11(16)10(15)4-7(9)6-1-2-8(12(17)3-6)13(18,19)20/h1-5H
InChIKeyQZRNPTBDCIVCOE-UHFFFAOYSA-N
MW343.53 g/mol
LogP6.47
Rot. Bonds1

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

1,2,4-trichloro-5-[3-fluoro-4-(trifluoromethyl)phenyl]benzene (PubChem CID 134626732) has the molecular formula C13H5Cl3F4 and a molecular weight of 343.53 g/mol. Its IUPAC name is 1,2,4-trichloro-5-[3-fluoro-4-(trifluoromethyl)phenyl]benzene.

Molecular Properties

Compound Name1,2,4-trichloro-5-[3-fluoro-4-(trifluoromethyl)phenyl]benzene
PubChem CID134626732
Molecular FormulaC13H5Cl3F4
Molecular Weight343.53 g/mol
Exact Mass341.94
IUPAC Name1,2,4-trichloro-5-[3-fluoro-4-(trifluoromethyl)phenyl]benzene
SMILESFc1cc(-c2cc(Cl)c(Cl)cc2Cl)ccc1C(F)(F)F
InChIInChI=1S/C13H5Cl3F4/c14-9-5-11(16)10(15)4-7(9)6-1-2-8(12(17)3-6)13(18,19)20/h1-5H
InChIKeyQZRNPTBDCIVCOE-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_1', 'substructure': 'N/A'}

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Related Compounds

1-[3-(bromomethyl)-4-(trifluoromethyl)phenyl]-2,4,5-trichlorobenzene
CID 134625583
1,3-dichloro-5-[3-fluoro-4-(trifluoromethyl)phenyl]benzene
CID 134623705
1,4-dichloro-2-[3-chloro-4-(trifluoromethyl)phenyl]benzene
CID 134625918
1,2,4-trichloro-5-[4-(difluoromethyl)-3-(trifluoromethyl)phenyl]benzene
CID 134628127
1,2,4-trichloro-5-(3-fluoro-4-methylphenyl)benzene
CID 134626862
4-chloro-2-[3-fluoro-4-(trifluoromethyl)phenyl]benzaldehyde
CID 107289657
1,2-dichloro-4-[4-chloro-2-(trifluoromethyl)phenyl]benzene
CID 134627973
2,6-bis(2,4,5-trichlorophenyl)-3-(trifluoromethyl)pyridine
CID 134618234
[2-chloro-4-[3-fluoro-4-(trifluoromethyl)phenyl]phenyl]methanamine
CID 107289712
2-fluoro-4-(4-methylphenyl)-1-(trifluoromethyl)benzene
CID 21026890
3-chloro-6-[3-fluoro-4-(trifluoromethyl)phenyl]pyridazine
CID 107290372
5,6-dichloro-2-[3-fluoro-4-(trifluoromethyl)phenyl]-1H-benzimidazole-4,7-dione
CID 165129388

Frequently Asked Questions

What is the IUPAC name of 1,2,4-trichloro-5-[3-fluoro-4-(trifluoromethyl)phenyl]benzene?
The IUPAC name of 1,2,4-trichloro-5-[3-fluoro-4-(trifluoromethyl)phenyl]benzene (CID 134626732) is 1,2,4-trichloro-5-[3-fluoro-4-(trifluoromethyl)phenyl]benzene.
What is the SMILES notation for 1,2,4-trichloro-5-[3-fluoro-4-(trifluoromethyl)phenyl]benzene?
The canonical SMILES for 1,2,4-trichloro-5-[3-fluoro-4-(trifluoromethyl)phenyl]benzene is Fc1cc(-c2cc(Cl)c(Cl)cc2Cl)ccc1C(F)(F)F.
What is the InChIKey of 1,2,4-trichloro-5-[3-fluoro-4-(trifluoromethyl)phenyl]benzene?
The InChIKey is QZRNPTBDCIVCOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H5Cl3F4/c14-9-5-11(16)10(15)4-7(9)6-1-2-8(12(17)3-6)13(18,19)20/h1-5H.
What are the key properties of 1,2,4-trichloro-5-[3-fluoro-4-(trifluoromethyl)phenyl]benzene?
1,2,4-trichloro-5-[3-fluoro-4-(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 1,2,4-trichloro-5-[3-fluoro-4-(trifluoromethyl)phenyl]benzene is sourced from PubChem (CID 134626732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).