2-chloro-1-fluoro-3-[(2-iodophenoxy)methyl]benzene

C13H9ClFIO — CID 112652323

IUPAC2-chloro-1-fluoro-3-[(2-iodophenoxy)methyl]benzene
SMILESFc1cccc(COc2ccccc2I)c1Cl
InChIInChI=1S/C13H9ClFIO/c14-13-9(4-3-5-10(13)15)8-17-12-7-2-1-6-11(12)16/h1-7H,8H2
InChIKeyXNXRMAHIRHKWQA-UHFFFAOYSA-N
MW362.57 g/mol
LogP4.66
Rot. Bonds3

About 2-chloro-1-fluoro-3-[(2-iodophenoxy)methyl]benzene

2-chloro-1-fluoro-3-[(2-iodophenoxy)methyl]benzene (PubChem CID 112652323) has the molecular formula C13H9ClFIO and a molecular weight of 362.57 g/mol. Its IUPAC name is 2-chloro-1-fluoro-3-[(2-iodophenoxy)methyl]benzene.

Molecular Properties

Compound Name2-chloro-1-fluoro-3-[(2-iodophenoxy)methyl]benzene
PubChem CID112652323
Molecular FormulaC13H9ClFIO
Molecular Weight362.57 g/mol
Exact Mass361.94
IUPAC Name2-chloro-1-fluoro-3-[(2-iodophenoxy)methyl]benzene
SMILESFc1cccc(COc2ccccc2I)c1Cl
InChIInChI=1S/C13H9ClFIO/c14-13-9(4-3-5-10(13)15)8-17-12-7-2-1-6-11(12)16/h1-7H,8H2
InChIKeyXNXRMAHIRHKWQA-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'}

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Related Compounds

1,2-bis[(2-iodophenoxy)methyl]benzene
CID 154951075
[2-[(2-chloro-3-fluorophenyl)methoxy]phenyl]-trifluoroboranuide
CID 115983156
4-chloro-1-fluoro-2-[(2-iodophenoxy)methyl]benzene
CID 103046666
1,3-difluoro-2-[(2-iodophenoxy)methyl]benzene
CID 114930275
1-[(2-chloro-3-fluorophenyl)methoxy]-2-(chloromethyl)-4-fluorobenzene
CID 107698873
1-[2-[(2-chloro-3-fluorophenyl)methoxy]phenyl]ethanamine
CID 112651722
2-[(2-chloro-3-fluorophenyl)methoxy]-6-fluorobenzoic acid
CID 104651365
1-[[2-[(2,3-difluorophenoxy)methyl]phenyl]methoxy]-2,3-difluorobenzene
CID 174920306
2-fluoro-3-[(2-iodophenoxy)methyl]benzonitrile
CID 103886696
2-chloro-6-[(2-chloro-3-fluorophenyl)methoxy]benzoic acid
CID 115982957
1-iodo-2-[(2-methoxyphenyl)methoxy]benzene
CID 54942072
4-[(2-chloro-3-fluorophenyl)methoxy]phenol
CID 112652557

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-fluoro-3-[(2-iodophenoxy)methyl]benzene?
The IUPAC name of 2-chloro-1-fluoro-3-[(2-iodophenoxy)methyl]benzene (CID 112652323) is 2-chloro-1-fluoro-3-[(2-iodophenoxy)methyl]benzene.
What is the SMILES notation for 2-chloro-1-fluoro-3-[(2-iodophenoxy)methyl]benzene?
The canonical SMILES for 2-chloro-1-fluoro-3-[(2-iodophenoxy)methyl]benzene is Fc1cccc(COc2ccccc2I)c1Cl.
What is the InChIKey of 2-chloro-1-fluoro-3-[(2-iodophenoxy)methyl]benzene?
The InChIKey is XNXRMAHIRHKWQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFIO/c14-13-9(4-3-5-10(13)15)8-17-12-7-2-1-6-11(12)16/h1-7H,8H2.
What are the key properties of 2-chloro-1-fluoro-3-[(2-iodophenoxy)methyl]benzene?
2-chloro-1-fluoro-3-[(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 2-chloro-1-fluoro-3-[(2-iodophenoxy)methyl]benzene is sourced from PubChem (CID 112652323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).