1-chloro-4-[chloro-(2,4,5-trifluorophenyl)methyl]-2,5-difluorobenzene

C13H5Cl2F5 — CID 103303789

IUPAC1-chloro-4-[chloro-(2,4,5-trifluorophenyl)methyl]-2,5-difluorobenzene
SMILESFc1cc(F)c(C(Cl)c2cc(F)c(Cl)cc2F)cc1F
InChIInChI=1S/C13H5Cl2F5/c14-7-3-8(16)5(1-10(7)18)13(15)6-2-11(19)12(20)4-9(6)17/h1-4,13H
InChIKeyIGEHNVRNGUBAKZ-UHFFFAOYSA-N
MW327.08 g/mol
LogP5.36
Rot. Bonds2

About 1-chloro-4-[chloro-(2,4,5-trifluorophenyl)methyl]-2,5-difluorobenzene

1-chloro-4-[chloro-(2,4,5-trifluorophenyl)methyl]-2,5-difluorobenzene (PubChem CID 103303789) has the molecular formula C13H5Cl2F5 and a molecular weight of 327.08 g/mol. Its IUPAC name is 1-chloro-4-[chloro-(2,4,5-trifluorophenyl)methyl]-2,5-difluorobenzene.

Molecular Properties

Compound Name1-chloro-4-[chloro-(2,4,5-trifluorophenyl)methyl]-2,5-difluorobenzene
PubChem CID103303789
Molecular FormulaC13H5Cl2F5
Molecular Weight327.08 g/mol
Exact Mass325.97
IUPAC Name1-chloro-4-[chloro-(2,4,5-trifluorophenyl)methyl]-2,5-difluorobenzene
SMILESFc1cc(F)c(C(Cl)c2cc(F)c(Cl)cc2F)cc1F
InChIInChI=1S/C13H5Cl2F5/c14-7-3-8(16)5(1-10(7)18)13(15)6-2-11(19)12(20)4-9(6)17/h1-4,13H
InChIKeyIGEHNVRNGUBAKZ-UHFFFAOYSA-N
XLogP5.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.08
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-chloro-4-[chloro-(2,5-difluorophenyl)methyl]-2,5-difluorobenzene
CID 82771504
1-chloro-4-[chloro-(2,4-dimethylphenyl)methyl]-2,5-difluorobenzene
CID 82771221
1-[chloro-(3,5-dichlorophenyl)methyl]-2,4,5-trifluorobenzene
CID 103304052
2,5-dichloro-3-[chloro-(2,4,5-trifluorophenyl)methyl]thiophene
CID 114021706
1-[chloro-(2,3,4-trifluorophenyl)methyl]-2,4,5-trifluorobenzene
CID 103303785
1-bromo-5-[chloro-(4-chloro-2,5-difluorophenyl)methyl]-4-methoxy-2-methylbenzene
CID 82773177
1-[chloro-(2-fluoro-3-methylphenyl)methyl]-2,4,5-trifluorobenzene
CID 103303846
6-[chloro-(4-chloro-2,5-difluorophenyl)methyl]-2,3-dihydro-1,4-benzodioxine
CID 82772655
(1R)-1-(4-chloro-2,5-difluorophenyl)-2-methylpropan-1-amine
CID 130706083
1-chloro-4-[1-chloro-2-(4-chlorophenyl)ethyl]-2,5-difluorobenzene
CID 82772537
3-[chloro-(2,4,5-trifluorophenyl)methyl]-2-methylfuran
CID 103303625
(1S)-1-(4-chloro-2,5-difluorophenyl)propan-1-amine
CID 131118917

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[chloro-(2,4,5-trifluorophenyl)methyl]-2,5-difluorobenzene?
The IUPAC name of 1-chloro-4-[chloro-(2,4,5-trifluorophenyl)methyl]-2,5-difluorobenzene (CID 103303789) is 1-chloro-4-[chloro-(2,4,5-trifluorophenyl)methyl]-2,5-difluorobenzene.
What is the SMILES notation for 1-chloro-4-[chloro-(2,4,5-trifluorophenyl)methyl]-2,5-difluorobenzene?
The canonical SMILES for 1-chloro-4-[chloro-(2,4,5-trifluorophenyl)methyl]-2,5-difluorobenzene is Fc1cc(F)c(C(Cl)c2cc(F)c(Cl)cc2F)cc1F.
What is the InChIKey of 1-chloro-4-[chloro-(2,4,5-trifluorophenyl)methyl]-2,5-difluorobenzene?
The InChIKey is IGEHNVRNGUBAKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H5Cl2F5/c14-7-3-8(16)5(1-10(7)18)13(15)6-2-11(19)12(20)4-9(6)17/h1-4,13H.
What are the key properties of 1-chloro-4-[chloro-(2,4,5-trifluorophenyl)methyl]-2,5-difluorobenzene?
1-chloro-4-[chloro-(2,4,5-trifluorophenyl)methyl]-2,5-difluorobenzene has a molecular weight of 327.08 g/mol, XLogP of 5.36, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[chloro-(2,4,5-trifluorophenyl)methyl]-2,5-difluorobenzene is sourced from PubChem (CID 103303789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).