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

C13H9ClFIO — CID 102616175

IUPAC1-chloro-4-fluoro-2-[(4-iodophenoxy)methyl]benzene
SMILESFc1ccc(Cl)c(COc2ccc(I)cc2)c1
InChIInChI=1S/C13H9ClFIO/c14-13-6-1-10(15)7-9(13)8-17-12-4-2-11(16)3-5-12/h1-7H,8H2
InChIKeyWUISKQRZEXSNMN-UHFFFAOYSA-N
MW362.57 g/mol
LogP4.66
Rot. Bonds3

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

1-chloro-4-fluoro-2-[(4-iodophenoxy)methyl]benzene (PubChem CID 102616175) has the molecular formula C13H9ClFIO and a molecular weight of 362.57 g/mol. Its IUPAC name is 1-chloro-4-fluoro-2-[(4-iodophenoxy)methyl]benzene.

Molecular Properties

Compound Name1-chloro-4-fluoro-2-[(4-iodophenoxy)methyl]benzene
PubChem CID102616175
Molecular FormulaC13H9ClFIO
Molecular Weight362.57 g/mol
Exact Mass361.94
IUPAC Name1-chloro-4-fluoro-2-[(4-iodophenoxy)methyl]benzene
SMILESFc1ccc(Cl)c(COc2ccc(I)cc2)c1
InChIInChI=1S/C13H9ClFIO/c14-13-6-1-10(15)7-9(13)8-17-12-4-2-11(16)3-5-12/h1-7H,8H2
InChIKeyWUISKQRZEXSNMN-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-chloro-2-[(4-ethylphenoxy)methyl]-4-fluorobenzene
CID 102620565
4-[(2-chloro-5-fluorophenyl)methoxy]-N-methylaniline
CID 102619550
4-[(2-chloro-5-fluorophenyl)methoxy]benzoic acid
CID 102615075
4-[(2-chloro-5-fluorophenyl)methoxy]-2-fluoroaniline
CID 102615048
[5-[(2-chloro-5-fluorophenyl)methoxy]-2-pyridinyl]methanol
CID 102616515
(1S)-1-[4-[(2-chloro-5-fluorophenyl)methoxy]-2-fluorophenyl]ethanamine
CID 107719001
1-[4-[(2-chloro-5-fluorophenyl)methoxy]-2-fluorophenyl]ethanol
CID 107719703
1,4-dichloro-2-[(4-chlorophenoxy)methyl]benzene
CID 65317932
3-[3-[(2-chloro-5-fluorophenyl)methoxy]phenyl]prop-2-yn-1-ol
CID 102619434
[2-[(2-chloro-5-fluorophenyl)methoxy]-5-fluoro-3-(hydroxymethyl)phenyl]methanol
CID 99823533
2-chloro-4-fluoro-1-[(4-methoxyphenoxy)methyl]benzene
CID 112788881
2-[(2-chloro-5-fluorophenyl)methoxy]-4-methoxyaniline
CID 102702452

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-fluoro-2-[(4-iodophenoxy)methyl]benzene?
The IUPAC name of 1-chloro-4-fluoro-2-[(4-iodophenoxy)methyl]benzene (CID 102616175) is 1-chloro-4-fluoro-2-[(4-iodophenoxy)methyl]benzene.
What is the SMILES notation for 1-chloro-4-fluoro-2-[(4-iodophenoxy)methyl]benzene?
The canonical SMILES for 1-chloro-4-fluoro-2-[(4-iodophenoxy)methyl]benzene is Fc1ccc(Cl)c(COc2ccc(I)cc2)c1.
What is the InChIKey of 1-chloro-4-fluoro-2-[(4-iodophenoxy)methyl]benzene?
The InChIKey is WUISKQRZEXSNMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFIO/c14-13-6-1-10(15)7-9(13)8-17-12-4-2-11(16)3-5-12/h1-7H,8H2.
What are the key properties of 1-chloro-4-fluoro-2-[(4-iodophenoxy)methyl]benzene?
1-chloro-4-fluoro-2-[(4-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 1-chloro-4-fluoro-2-[(4-iodophenoxy)methyl]benzene is sourced from PubChem (CID 102616175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).