1,2,5-trichloro-3-[5-chloro-4-(difluoromethyl)-2-fluorophenyl]benzene

C13H5Cl4F3 — CID 118818698

IUPAC1,2,5-trichloro-3-[5-chloro-4-(difluoromethyl)-2-fluorophenyl]benzene
SMILESFc1cc(C(F)F)c(Cl)cc1-c1cc(Cl)cc(Cl)c1Cl
InChIInChI=1S/C13H5Cl4F3/c14-5-1-7(12(17)10(16)2-5)6-3-9(15)8(13(19)20)4-11(6)18/h1-4,13H
InChIKeyPEZIGXJFOXRLBR-UHFFFAOYSA-N
MW359.99 g/mol
LogP7.04
Rot. Bonds2

About 1,2,5-trichloro-3-[5-chloro-4-(difluoromethyl)-2-fluorophenyl]benzene

1,2,5-trichloro-3-[5-chloro-4-(difluoromethyl)-2-fluorophenyl]benzene (PubChem CID 118818698) has the molecular formula C13H5Cl4F3 and a molecular weight of 359.99 g/mol. Its IUPAC name is 1,2,5-trichloro-3-[5-chloro-4-(difluoromethyl)-2-fluorophenyl]benzene.

Molecular Properties

Compound Name1,2,5-trichloro-3-[5-chloro-4-(difluoromethyl)-2-fluorophenyl]benzene
PubChem CID118818698
Molecular FormulaC13H5Cl4F3
Molecular Weight359.99 g/mol
Exact Mass357.91
IUPAC Name1,2,5-trichloro-3-[5-chloro-4-(difluoromethyl)-2-fluorophenyl]benzene
SMILESFc1cc(C(F)F)c(Cl)cc1-c1cc(Cl)cc(Cl)c1Cl
InChIInChI=1S/C13H5Cl4F3/c14-5-1-7(12(17)10(16)2-5)6-3-9(15)8(13(19)20)4-11(6)18/h1-4,13H
InChIKeyPEZIGXJFOXRLBR-UHFFFAOYSA-N
XLogP7.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.99
LogP ≤ 57.04
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-[5-chloro-4-(difluoromethyl)-2-fluorophenyl]-2,3,4,5,6-pentafluorobenzene
CID 134629873
1-chloro-2-(difluoromethyl)-5-(2,3-difluorophenyl)-4-fluorobenzene
CID 134629846
1,2,5-trichloro-3-[2-chloro-6-(difluoromethyl)phenyl]benzene
CID 134617250
1,5-dichloro-2-(difluoromethyl)-3-fluorobenzene
CID 119004483
1,2-dichloro-3-[3-(difluoromethyl)-4-fluorophenyl]benzene
CID 118837736
1,2,3-trichloro-5-[4-chloro-2-(difluoromethyl)phenyl]benzene
CID 118809022
3-fluoro-5-methoxy-2-(2,3,5-trichlorophenyl)pyridine
CID 134637494
1,3,5-trichloro-2-[2-(difluoromethyl)-5-methoxyphenyl]benzene
CID 118831917
1,2,4-trichloro-3-[3-(difluoromethyl)-4-fluorophenyl]benzene
CID 134622495
2,4-dichloro-1-[4-(difluoromethyl)-3-fluorophenyl]benzene
CID 119008035
2-[5-chloro-2-(2,3,5-trichlorophenyl)phenyl]-2-hydroxyacetic acid
CID 134633845
1-chloro-4-(difluoromethyl)-2-fluoro-5-iodobenzene
CID 171003742

Frequently Asked Questions

What is the IUPAC name of 1,2,5-trichloro-3-[5-chloro-4-(difluoromethyl)-2-fluorophenyl]benzene?
The IUPAC name of 1,2,5-trichloro-3-[5-chloro-4-(difluoromethyl)-2-fluorophenyl]benzene (CID 118818698) is 1,2,5-trichloro-3-[5-chloro-4-(difluoromethyl)-2-fluorophenyl]benzene.
What is the SMILES notation for 1,2,5-trichloro-3-[5-chloro-4-(difluoromethyl)-2-fluorophenyl]benzene?
The canonical SMILES for 1,2,5-trichloro-3-[5-chloro-4-(difluoromethyl)-2-fluorophenyl]benzene is Fc1cc(C(F)F)c(Cl)cc1-c1cc(Cl)cc(Cl)c1Cl.
What is the InChIKey of 1,2,5-trichloro-3-[5-chloro-4-(difluoromethyl)-2-fluorophenyl]benzene?
The InChIKey is PEZIGXJFOXRLBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H5Cl4F3/c14-5-1-7(12(17)10(16)2-5)6-3-9(15)8(13(19)20)4-11(6)18/h1-4,13H.
What are the key properties of 1,2,5-trichloro-3-[5-chloro-4-(difluoromethyl)-2-fluorophenyl]benzene?
1,2,5-trichloro-3-[5-chloro-4-(difluoromethyl)-2-fluorophenyl]benzene has a molecular weight of 359.99 g/mol, XLogP of 7.04, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,5-trichloro-3-[5-chloro-4-(difluoromethyl)-2-fluorophenyl]benzene is sourced from PubChem (CID 118818698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).