1-chloro-3-fluoro-2-iodo-4-phenylbenzene

C12H7ClFI — CID 163198119

IUPAC1-chloro-3-fluoro-2-iodo-4-phenylbenzene
SMILESFc1c(-c2ccccc2)ccc(Cl)c1I
InChIInChI=1S/C12H7ClFI/c13-10-7-6-9(11(14)12(10)15)8-4-2-1-3-5-8/h1-7H
InChIKeyQQIOHOGPOQYTQC-UHFFFAOYSA-N
MW332.54 g/mol
LogP4.75
Rot. Bonds1

About 1-chloro-3-fluoro-2-iodo-4-phenylbenzene

1-chloro-3-fluoro-2-iodo-4-phenylbenzene (PubChem CID 163198119) has the molecular formula C12H7ClFI and a molecular weight of 332.54 g/mol. Its IUPAC name is 1-chloro-3-fluoro-2-iodo-4-phenylbenzene.

Molecular Properties

Compound Name1-chloro-3-fluoro-2-iodo-4-phenylbenzene
PubChem CID163198119
Molecular FormulaC12H7ClFI
Molecular Weight332.54 g/mol
Exact Mass331.93
IUPAC Name1-chloro-3-fluoro-2-iodo-4-phenylbenzene
SMILESFc1c(-c2ccccc2)ccc(Cl)c1I
InChIInChI=1S/C12H7ClFI/c13-10-7-6-9(11(14)12(10)15)8-4-2-1-3-5-8/h1-7H
InChIKeyQQIOHOGPOQYTQC-UHFFFAOYSA-N
XLogP4.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.54
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-fluoro-2-iodo-4-phenylbenzene?
The IUPAC name of 1-chloro-3-fluoro-2-iodo-4-phenylbenzene (CID 163198119) is 1-chloro-3-fluoro-2-iodo-4-phenylbenzene.
What is the SMILES notation for 1-chloro-3-fluoro-2-iodo-4-phenylbenzene?
The canonical SMILES for 1-chloro-3-fluoro-2-iodo-4-phenylbenzene is Fc1c(-c2ccccc2)ccc(Cl)c1I.
What is the InChIKey of 1-chloro-3-fluoro-2-iodo-4-phenylbenzene?
The InChIKey is QQIOHOGPOQYTQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClFI/c13-10-7-6-9(11(14)12(10)15)8-4-2-1-3-5-8/h1-7H.
What are the key properties of 1-chloro-3-fluoro-2-iodo-4-phenylbenzene?
1-chloro-3-fluoro-2-iodo-4-phenylbenzene has a molecular weight of 332.54 g/mol, XLogP of 4.75, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-fluoro-2-iodo-4-phenylbenzene is sourced from PubChem (CID 163198119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).