1-[chloro-(2,4-difluorophenyl)methyl]-2,3,4-trifluorobenzene

C13H6ClF5 — CID 79756723

IUPAC1-[chloro-(2,4-difluorophenyl)methyl]-2,3,4-trifluorobenzene
SMILESFc1ccc(C(Cl)c2ccc(F)c(F)c2F)c(F)c1
InChIInChI=1S/C13H6ClF5/c14-11(7-2-1-6(15)5-10(7)17)8-3-4-9(16)13(19)12(8)18/h1-5,11H
InChIKeyWZFVSMZIXJHSLT-UHFFFAOYSA-N
MW292.63 g/mol
LogP4.71
Rot. Bonds2

About 1-[chloro-(2,4-difluorophenyl)methyl]-2,3,4-trifluorobenzene

1-[chloro-(2,4-difluorophenyl)methyl]-2,3,4-trifluorobenzene (PubChem CID 79756723) has the molecular formula C13H6ClF5 and a molecular weight of 292.63 g/mol. Its IUPAC name is 1-[chloro-(2,4-difluorophenyl)methyl]-2,3,4-trifluorobenzene.

Molecular Properties

Compound Name1-[chloro-(2,4-difluorophenyl)methyl]-2,3,4-trifluorobenzene
PubChem CID79756723
Molecular FormulaC13H6ClF5
Molecular Weight292.63 g/mol
Exact Mass292.01
IUPAC Name1-[chloro-(2,4-difluorophenyl)methyl]-2,3,4-trifluorobenzene
SMILESFc1ccc(C(Cl)c2ccc(F)c(F)c2F)c(F)c1
InChIInChI=1S/C13H6ClF5/c14-11(7-2-1-6(15)5-10(7)17)8-3-4-9(16)13(19)12(8)18/h1-5,11H
InChIKeyWZFVSMZIXJHSLT-UHFFFAOYSA-N
XLogP4.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.63
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-[chloro-(2,4-difluorophenyl)methyl]-2,4-difluorobenzene
CID 61086405
1-[chloro-(2,3,4-trifluorophenyl)methyl]-2,4,5-trifluorobenzene
CID 103303785
1-bromo-3-[chloro-(2,4-difluorophenyl)methyl]-2-fluorobenzene
CID 107955921
1-[(2-bromo-4-fluorophenyl)-chloromethyl]-2,4-difluorobenzene
CID 63433476
1-bromo-2-[chloro-(2,4-difluorophenyl)methyl]-4-fluorobenzene
CID 63433650
1-[chloro-(5-chloro-2-iodophenyl)methyl]-2,4-difluorobenzene
CID 114030828
1-[chloro-(5-chloro-2-methylphenyl)methyl]-2,4-difluorobenzene
CID 82890318
2-[chloro-(2,4-difluorophenyl)methyl]-1,3-difluoro-4-methylbenzene
CID 82816483
4-chloro-1-[chloro-(4-fluorophenyl)methyl]-2-fluorobenzene
CID 55198108
[(2,4-difluorophenyl)-(2,3,4-trifluorophenyl)methyl]hydrazine
CID 105216507
1-[chloro-(3-fluoro-4-methylphenyl)methyl]-2,4-difluorobenzene
CID 63434008
1-[chloro-(2,4-difluorophenyl)methyl]-2-fluoro-4,5-dimethoxybenzene
CID 62866237

Frequently Asked Questions

What is the IUPAC name of 1-[chloro-(2,4-difluorophenyl)methyl]-2,3,4-trifluorobenzene?
The IUPAC name of 1-[chloro-(2,4-difluorophenyl)methyl]-2,3,4-trifluorobenzene (CID 79756723) is 1-[chloro-(2,4-difluorophenyl)methyl]-2,3,4-trifluorobenzene.
What is the SMILES notation for 1-[chloro-(2,4-difluorophenyl)methyl]-2,3,4-trifluorobenzene?
The canonical SMILES for 1-[chloro-(2,4-difluorophenyl)methyl]-2,3,4-trifluorobenzene is Fc1ccc(C(Cl)c2ccc(F)c(F)c2F)c(F)c1.
What is the InChIKey of 1-[chloro-(2,4-difluorophenyl)methyl]-2,3,4-trifluorobenzene?
The InChIKey is WZFVSMZIXJHSLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6ClF5/c14-11(7-2-1-6(15)5-10(7)17)8-3-4-9(16)13(19)12(8)18/h1-5,11H.
What are the key properties of 1-[chloro-(2,4-difluorophenyl)methyl]-2,3,4-trifluorobenzene?
1-[chloro-(2,4-difluorophenyl)methyl]-2,3,4-trifluorobenzene has a molecular weight of 292.63 g/mol, XLogP of 4.71, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[chloro-(2,4-difluorophenyl)methyl]-2,3,4-trifluorobenzene is sourced from PubChem (CID 79756723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).