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

C13H7Cl3F2 — CID 63430449

IUPAC2,4-dichloro-1-[chloro-(2,5-difluorophenyl)methyl]benzene
SMILESFc1ccc(F)c(C(Cl)c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C13H7Cl3F2/c14-7-1-3-9(11(15)5-7)13(16)10-6-8(17)2-4-12(10)18/h1-6,13H
InChIKeyDUJQYRUWCTVGBM-UHFFFAOYSA-N
MW307.55 g/mol
LogP5.60
Rot. Bonds2

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

2,4-dichloro-1-[chloro-(2,5-difluorophenyl)methyl]benzene (PubChem CID 63430449) has the molecular formula C13H7Cl3F2 and a molecular weight of 307.55 g/mol. Its IUPAC name is 2,4-dichloro-1-[chloro-(2,5-difluorophenyl)methyl]benzene.

Molecular Properties

Compound Name2,4-dichloro-1-[chloro-(2,5-difluorophenyl)methyl]benzene
PubChem CID63430449
Molecular FormulaC13H7Cl3F2
Molecular Weight307.55 g/mol
Exact Mass305.96
IUPAC Name2,4-dichloro-1-[chloro-(2,5-difluorophenyl)methyl]benzene
SMILESFc1ccc(F)c(C(Cl)c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C13H7Cl3F2/c14-7-1-3-9(11(15)5-7)13(16)10-6-8(17)2-4-12(10)18/h1-6,13H
InChIKeyDUJQYRUWCTVGBM-UHFFFAOYSA-N
XLogP5.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.55
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2,4-dichloro-1-[chloro-(5-fluoro-2-methylphenyl)methyl]benzene
CID 55198991
1-chloro-4-[chloro-(2,5-difluorophenyl)methyl]-2,5-difluorobenzene
CID 82771504
1,4-dichloro-2-[chloro-(2,4-dichlorophenyl)methyl]benzene
CID 63436201
(2,4-dichlorophenyl)-(2,5-difluorophenyl)methanamine
CID 43197872
2-chloro-1-[chloro-(4-chlorophenyl)methyl]-4-fluorobenzene
CID 63429018
2-chloro-4-fluoro-1-propan-2-ylbenzene;1,4-difluoro-2-propan-2-ylbenzene
CID 142425604
2,4-dichloro-1-[chloro-(2,6-difluorophenyl)methyl]benzene
CID 55199949
2,5-dichloro-3-[chloro-(2,5-difluorophenyl)methyl]thiophene
CID 107964463
1-[chloro-(5-chloro-2-methylphenyl)methyl]-2,4-difluorobenzene
CID 82890318
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-[(5-bromo-2-chlorophenyl)-chloromethyl]-2,4-dichlorobenzene
CID 63444065

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-1-[chloro-(2,5-difluorophenyl)methyl]benzene?
The IUPAC name of 2,4-dichloro-1-[chloro-(2,5-difluorophenyl)methyl]benzene (CID 63430449) is 2,4-dichloro-1-[chloro-(2,5-difluorophenyl)methyl]benzene.
What is the SMILES notation for 2,4-dichloro-1-[chloro-(2,5-difluorophenyl)methyl]benzene?
The canonical SMILES for 2,4-dichloro-1-[chloro-(2,5-difluorophenyl)methyl]benzene is Fc1ccc(F)c(C(Cl)c2ccc(Cl)cc2Cl)c1.
What is the InChIKey of 2,4-dichloro-1-[chloro-(2,5-difluorophenyl)methyl]benzene?
The InChIKey is DUJQYRUWCTVGBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl3F2/c14-7-1-3-9(11(15)5-7)13(16)10-6-8(17)2-4-12(10)18/h1-6,13H.
What are the key properties of 2,4-dichloro-1-[chloro-(2,5-difluorophenyl)methyl]benzene?
2,4-dichloro-1-[chloro-(2,5-difluorophenyl)methyl]benzene has a molecular weight of 307.55 g/mol, XLogP of 5.60, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-1-[chloro-(2,5-difluorophenyl)methyl]benzene is sourced from PubChem (CID 63430449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).