4-[chloro-(4-iodophenyl)methyl]-2-fluoro-1-methoxybenzene

C14H11ClFIO — CID 63434160

IUPAC4-[chloro-(4-iodophenyl)methyl]-2-fluoro-1-methoxybenzene
SMILESCOc1ccc(C(Cl)c2ccc(I)cc2)cc1F
InChIInChI=1S/C14H11ClFIO/c1-18-13-7-4-10(8-12(13)16)14(15)9-2-5-11(17)6-3-9/h2-8,14H,1H3
InChIKeyRKGBNXDRAQCIHK-UHFFFAOYSA-N
MW376.60 g/mol
LogP4.77
Rot. Bonds3

About 4-[chloro-(4-iodophenyl)methyl]-2-fluoro-1-methoxybenzene

4-[chloro-(4-iodophenyl)methyl]-2-fluoro-1-methoxybenzene (PubChem CID 63434160) has the molecular formula C14H11ClFIO and a molecular weight of 376.60 g/mol. Its IUPAC name is 4-[chloro-(4-iodophenyl)methyl]-2-fluoro-1-methoxybenzene.

Molecular Properties

Compound Name4-[chloro-(4-iodophenyl)methyl]-2-fluoro-1-methoxybenzene
PubChem CID63434160
Molecular FormulaC14H11ClFIO
Molecular Weight376.60 g/mol
Exact Mass375.95
IUPAC Name4-[chloro-(4-iodophenyl)methyl]-2-fluoro-1-methoxybenzene
SMILESCOc1ccc(C(Cl)c2ccc(I)cc2)cc1F
InChIInChI=1S/C14H11ClFIO/c1-18-13-7-4-10(8-12(13)16)14(15)9-2-5-11(17)6-3-9/h2-8,14H,1H3
InChIKeyRKGBNXDRAQCIHK-UHFFFAOYSA-N
XLogP4.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.60
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-4-[chloro-(3-fluoro-4-methoxyphenyl)methyl]-1-fluorobenzene
CID 82879437
4-(dichloromethyl)-2-fluoro-1-methoxybenzene
CID 150361147
4-(1-chloro-2-methylbutyl)-2-fluoro-1-methoxybenzene
CID 61083454
4-bromo-2-[chloro-(3-fluoro-4-methoxyphenyl)methyl]-1-methoxybenzene
CID 63427533
4-(1-chloro-2,2,2-trifluoroethyl)-2-fluoro-1-methoxybenzene
CID 61085047
4-[chloro-(4-iodophenyl)methyl]-1,2-dimethylbenzene
CID 63427367
2-[chloro-(4-iodophenyl)methyl]-1,4-dimethoxybenzene
CID 63429406
(1R)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 7047663
(1S)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 7016603
(3-fluoro-4-methoxyphenyl)-hydrazinylmethanamine
CID 116947406
(3-chloro-4-fluorophenyl)-(3-fluoro-4-methoxyphenyl)methanol
CID 63094497
(1R)-2,2-difluoro-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 97052813

Frequently Asked Questions

What is the IUPAC name of 4-[chloro-(4-iodophenyl)methyl]-2-fluoro-1-methoxybenzene?
The IUPAC name of 4-[chloro-(4-iodophenyl)methyl]-2-fluoro-1-methoxybenzene (CID 63434160) is 4-[chloro-(4-iodophenyl)methyl]-2-fluoro-1-methoxybenzene.
What is the SMILES notation for 4-[chloro-(4-iodophenyl)methyl]-2-fluoro-1-methoxybenzene?
The canonical SMILES for 4-[chloro-(4-iodophenyl)methyl]-2-fluoro-1-methoxybenzene is COc1ccc(C(Cl)c2ccc(I)cc2)cc1F.
What is the InChIKey of 4-[chloro-(4-iodophenyl)methyl]-2-fluoro-1-methoxybenzene?
The InChIKey is RKGBNXDRAQCIHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFIO/c1-18-13-7-4-10(8-12(13)16)14(15)9-2-5-11(17)6-3-9/h2-8,14H,1H3.
What are the key properties of 4-[chloro-(4-iodophenyl)methyl]-2-fluoro-1-methoxybenzene?
4-[chloro-(4-iodophenyl)methyl]-2-fluoro-1-methoxybenzene has a molecular weight of 376.60 g/mol, XLogP of 4.77, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[chloro-(4-iodophenyl)methyl]-2-fluoro-1-methoxybenzene is sourced from PubChem (CID 63434160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).