4-chloro-1-fluoro-2-[(2-iodophenoxy)methyl]benzene

C13H9ClFIO — CID 103046666

IUPAC4-chloro-1-fluoro-2-[(2-iodophenoxy)methyl]benzene
SMILESFc1ccc(Cl)cc1COc1ccccc1I
InChIInChI=1S/C13H9ClFIO/c14-10-5-6-11(15)9(7-10)8-17-13-4-2-1-3-12(13)16/h1-7H,8H2
InChIKeyNLHUFICYQXJNDE-UHFFFAOYSA-N
MW362.57 g/mol
LogP4.66
Rot. Bonds3

About 4-chloro-1-fluoro-2-[(2-iodophenoxy)methyl]benzene

4-chloro-1-fluoro-2-[(2-iodophenoxy)methyl]benzene (PubChem CID 103046666) has the molecular formula C13H9ClFIO and a molecular weight of 362.57 g/mol. Its IUPAC name is 4-chloro-1-fluoro-2-[(2-iodophenoxy)methyl]benzene.

Molecular Properties

Compound Name4-chloro-1-fluoro-2-[(2-iodophenoxy)methyl]benzene
PubChem CID103046666
Molecular FormulaC13H9ClFIO
Molecular Weight362.57 g/mol
Exact Mass361.94
IUPAC Name4-chloro-1-fluoro-2-[(2-iodophenoxy)methyl]benzene
SMILESFc1ccc(Cl)cc1COc1ccccc1I
InChIInChI=1S/C13H9ClFIO/c14-10-5-6-11(15)9(7-10)8-17-13-4-2-1-3-12(13)16/h1-7H,8H2
InChIKeyNLHUFICYQXJNDE-UHFFFAOYSA-N
XLogP4.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.57
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-chloro-1-fluoro-2-[(2-iodophenoxy)methyl]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-1-fluoro-3-[(2-iodophenoxy)methyl]benzene
CID 112652323
1,2-bis[(2-iodophenoxy)methyl]benzene
CID 154951075
2-bromo-3-[(5-chloro-2-fluorophenyl)methoxy]pyridine
CID 103695175
(1S)-1-[2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]propan-1-ol
CID 103046950
(NZ)-N-[1-[2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]ethylidene]hydroxylamine
CID 103046778
1-[2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]propan-1-one
CID 103046633
1,3-difluoro-2-[(2-iodophenoxy)methyl]benzene
CID 114930275
2,4-dichloro-1-[(2-fluorophenoxy)methyl]benzene
CID 60627817
2-(bromomethyl)-1-[(5-chloro-2-fluorophenyl)methoxy]-4-fluorobenzene
CID 107698978
3-[(5-chloro-2-fluorophenyl)methoxy]pyridine-2-carboxylic acid
CID 103046281
5-chloro-2-[(2-fluorophenoxy)methyl]aniline
CID 62102569
2-bromo-4-chloro-1-[(2-fluorophenyl)methoxy]benzene
CID 146003855

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-fluoro-2-[(2-iodophenoxy)methyl]benzene?
The IUPAC name of 4-chloro-1-fluoro-2-[(2-iodophenoxy)methyl]benzene (CID 103046666) is 4-chloro-1-fluoro-2-[(2-iodophenoxy)methyl]benzene.
What is the SMILES notation for 4-chloro-1-fluoro-2-[(2-iodophenoxy)methyl]benzene?
The canonical SMILES for 4-chloro-1-fluoro-2-[(2-iodophenoxy)methyl]benzene is Fc1ccc(Cl)cc1COc1ccccc1I.
What is the InChIKey of 4-chloro-1-fluoro-2-[(2-iodophenoxy)methyl]benzene?
The InChIKey is NLHUFICYQXJNDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFIO/c14-10-5-6-11(15)9(7-10)8-17-13-4-2-1-3-12(13)16/h1-7H,8H2.
What are the key properties of 4-chloro-1-fluoro-2-[(2-iodophenoxy)methyl]benzene?
4-chloro-1-fluoro-2-[(2-iodophenoxy)methyl]benzene has a molecular weight of 362.57 g/mol, XLogP of 4.66, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-fluoro-2-[(2-iodophenoxy)methyl]benzene is sourced from PubChem (CID 103046666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).