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

C13H7Cl2F2I — CID 114030828

IUPAC1-[chloro-(5-chloro-2-iodophenyl)methyl]-2,4-difluorobenzene
SMILESFc1ccc(C(Cl)c2cc(Cl)ccc2I)c(F)c1
InChIInChI=1S/C13H7Cl2F2I/c14-7-1-4-12(18)10(5-7)13(15)9-3-2-8(16)6-11(9)17/h1-6,13H
InChIKeyZTVVDBVBNCCKIF-UHFFFAOYSA-N
MW399.01 g/mol
LogP5.55
Rot. Bonds2

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

1-[chloro-(5-chloro-2-iodophenyl)methyl]-2,4-difluorobenzene (PubChem CID 114030828) has the molecular formula C13H7Cl2F2I and a molecular weight of 399.01 g/mol. Its IUPAC name is 1-[chloro-(5-chloro-2-iodophenyl)methyl]-2,4-difluorobenzene.

Molecular Properties

Compound Name1-[chloro-(5-chloro-2-iodophenyl)methyl]-2,4-difluorobenzene
PubChem CID114030828
Molecular FormulaC13H7Cl2F2I
Molecular Weight399.01 g/mol
Exact Mass397.89
IUPAC Name1-[chloro-(5-chloro-2-iodophenyl)methyl]-2,4-difluorobenzene
SMILESFc1ccc(C(Cl)c2cc(Cl)ccc2I)c(F)c1
InChIInChI=1S/C13H7Cl2F2I/c14-7-1-4-12(18)10(5-7)13(15)9-3-2-8(16)6-11(9)17/h1-6,13H
InChIKeyZTVVDBVBNCCKIF-UHFFFAOYSA-N
XLogP5.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.01
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-[chloro-(2,4-difluorophenyl)methyl]-2,4-difluorobenzene
CID 61086405
1-[chloro-(5-chloro-2-methylphenyl)methyl]-2,4-difluorobenzene
CID 82890318
1-[chloro-(2,4-difluorophenyl)methyl]-2,3,4-trifluorobenzene
CID 79756723
4-chloro-1-[chloro-(4-fluorophenyl)methyl]-2-fluorobenzene
CID 55198108
1-[(2-bromo-4-fluorophenyl)-chloromethyl]-2,4-difluorobenzene
CID 63433476
2,4-dichloro-1-[chloro-(2,5-difluorophenyl)methyl]benzene
CID 63430449
1-bromo-2-[chloro-(2,4-difluorophenyl)methyl]-4-fluorobenzene
CID 63433650
1,4-dichloro-2-[chloro-(2-iodophenyl)methyl]benzene
CID 63436203
4-chloro-2-fluoro-1-propan-2-ylbenzene;2,4-difluoro-1-propan-2-ylbenzene;ethane
CID 166121933
1-chloro-4-[chloro-(2,5-difluorophenyl)methyl]-2,5-difluorobenzene
CID 82771504
1-[chloro-(2,4-difluorophenyl)methyl]-2-fluoro-4,5-dimethoxybenzene
CID 62866237
2,4-dichloro-1-[chloro-(5-fluoro-2-methylphenyl)methyl]benzene
CID 55198991

Frequently Asked Questions

What is the IUPAC name of 1-[chloro-(5-chloro-2-iodophenyl)methyl]-2,4-difluorobenzene?
The IUPAC name of 1-[chloro-(5-chloro-2-iodophenyl)methyl]-2,4-difluorobenzene (CID 114030828) is 1-[chloro-(5-chloro-2-iodophenyl)methyl]-2,4-difluorobenzene.
What is the SMILES notation for 1-[chloro-(5-chloro-2-iodophenyl)methyl]-2,4-difluorobenzene?
The canonical SMILES for 1-[chloro-(5-chloro-2-iodophenyl)methyl]-2,4-difluorobenzene is Fc1ccc(C(Cl)c2cc(Cl)ccc2I)c(F)c1.
What is the InChIKey of 1-[chloro-(5-chloro-2-iodophenyl)methyl]-2,4-difluorobenzene?
The InChIKey is ZTVVDBVBNCCKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl2F2I/c14-7-1-4-12(18)10(5-7)13(15)9-3-2-8(16)6-11(9)17/h1-6,13H.
What are the key properties of 1-[chloro-(5-chloro-2-iodophenyl)methyl]-2,4-difluorobenzene?
1-[chloro-(5-chloro-2-iodophenyl)methyl]-2,4-difluorobenzene has a molecular weight of 399.01 g/mol, XLogP of 5.55, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[chloro-(5-chloro-2-iodophenyl)methyl]-2,4-difluorobenzene is sourced from PubChem (CID 114030828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).