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

C13H6Cl2F4 — CID 82771504

IUPAC1-chloro-4-[chloro-(2,5-difluorophenyl)methyl]-2,5-difluorobenzene
SMILESFc1ccc(F)c(C(Cl)c2cc(F)c(Cl)cc2F)c1
InChIInChI=1S/C13H6Cl2F4/c14-9-5-11(18)8(4-12(9)19)13(15)7-3-6(16)1-2-10(7)17/h1-5,13H
InChIKeyLJPSQVSITWUASH-UHFFFAOYSA-N
MW309.09 g/mol
LogP5.22
Rot. Bonds2

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

1-chloro-4-[chloro-(2,5-difluorophenyl)methyl]-2,5-difluorobenzene (PubChem CID 82771504) has the molecular formula C13H6Cl2F4 and a molecular weight of 309.09 g/mol. Its IUPAC name is 1-chloro-4-[chloro-(2,5-difluorophenyl)methyl]-2,5-difluorobenzene.

Molecular Properties

Compound Name1-chloro-4-[chloro-(2,5-difluorophenyl)methyl]-2,5-difluorobenzene
PubChem CID82771504
Molecular FormulaC13H6Cl2F4
Molecular Weight309.09 g/mol
Exact Mass307.98
IUPAC Name1-chloro-4-[chloro-(2,5-difluorophenyl)methyl]-2,5-difluorobenzene
SMILESFc1ccc(F)c(C(Cl)c2cc(F)c(Cl)cc2F)c1
InChIInChI=1S/C13H6Cl2F4/c14-9-5-11(18)8(4-12(9)19)13(15)7-3-6(16)1-2-10(7)17/h1-5,13H
InChIKeyLJPSQVSITWUASH-UHFFFAOYSA-N
XLogP5.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.09
LogP ≤ 55.22
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-(2,4,5-trifluorophenyl)methyl]-2,5-difluorobenzene
CID 103303789
2,4-dichloro-1-[chloro-(2,5-difluorophenyl)methyl]benzene
CID 63430449
2,5-dichloro-3-[chloro-(2,5-difluorophenyl)methyl]thiophene
CID 107964463
1-[chloro-(2,4-difluorophenyl)methyl]-2,4-difluorobenzene
CID 61086405
1-[chloro-(2,5-difluorophenyl)methyl]-2,3,4,5,6-pentafluorobenzene
CID 63429945
1-chloro-4-[chloro-(2,4-dimethylphenyl)methyl]-2,5-difluorobenzene
CID 82771221
2,4-dichloro-1-[chloro-(5-fluoro-2-methylphenyl)methyl]benzene
CID 55198991
2-(1-chloroethyl)-1,4-difluorobenzene
CID 43114942
2-[chloro-[2-(difluoromethoxy)phenyl]methyl]-1,4-difluorobenzene
CID 61084727
1-[chloro-(2,4-difluorophenyl)methyl]-2,3,4-trifluorobenzene
CID 79756723
1-chloro-4-[1-chloro-2-(4-chlorophenyl)ethyl]-2,5-difluorobenzene
CID 82772537
1-[chloro-(5-chloro-2-iodophenyl)methyl]-2,4-difluorobenzene
CID 114030828

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[chloro-(2,5-difluorophenyl)methyl]-2,5-difluorobenzene?
The IUPAC name of 1-chloro-4-[chloro-(2,5-difluorophenyl)methyl]-2,5-difluorobenzene (CID 82771504) is 1-chloro-4-[chloro-(2,5-difluorophenyl)methyl]-2,5-difluorobenzene.
What is the SMILES notation for 1-chloro-4-[chloro-(2,5-difluorophenyl)methyl]-2,5-difluorobenzene?
The canonical SMILES for 1-chloro-4-[chloro-(2,5-difluorophenyl)methyl]-2,5-difluorobenzene is Fc1ccc(F)c(C(Cl)c2cc(F)c(Cl)cc2F)c1.
What is the InChIKey of 1-chloro-4-[chloro-(2,5-difluorophenyl)methyl]-2,5-difluorobenzene?
The InChIKey is LJPSQVSITWUASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6Cl2F4/c14-9-5-11(18)8(4-12(9)19)13(15)7-3-6(16)1-2-10(7)17/h1-5,13H.
What are the key properties of 1-chloro-4-[chloro-(2,5-difluorophenyl)methyl]-2,5-difluorobenzene?
1-chloro-4-[chloro-(2,5-difluorophenyl)methyl]-2,5-difluorobenzene has a molecular weight of 309.09 g/mol, XLogP of 5.22, 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-(2,5-difluorophenyl)methyl]-2,5-difluorobenzene is sourced from PubChem (CID 82771504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).