1-chloro-5-fluoro-4-iodo-2-methoxybenzene

C7H5ClFIO — CID 22625607

IUPAC1-chloro-5-fluoro-4-iodo-2-methoxybenzene
SMILESCOc1cc(I)c(F)cc1Cl
InChIInChI=1S/C7H5ClFIO/c1-11-7-3-6(10)5(9)2-4(7)8/h2-3H,1H3
InChIKeyIEUUOGFNHFWKBY-UHFFFAOYSA-N
MW286.47 g/mol
LogP3.09
Rot. Bonds1

About 1-chloro-5-fluoro-4-iodo-2-methoxybenzene

1-chloro-5-fluoro-4-iodo-2-methoxybenzene (PubChem CID 22625607) has the molecular formula C7H5ClFIO and a molecular weight of 286.47 g/mol. Its IUPAC name is 1-chloro-5-fluoro-4-iodo-2-methoxybenzene.

Molecular Properties

Compound Name1-chloro-5-fluoro-4-iodo-2-methoxybenzene
PubChem CID22625607
Molecular FormulaC7H5ClFIO
Molecular Weight286.47 g/mol
Exact Mass285.91
IUPAC Name1-chloro-5-fluoro-4-iodo-2-methoxybenzene
SMILESCOc1cc(I)c(F)cc1Cl
InChIInChI=1S/C7H5ClFIO/c1-11-7-3-6(10)5(9)2-4(7)8/h2-3H,1H3
InChIKeyIEUUOGFNHFWKBY-UHFFFAOYSA-N
XLogP3.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.47
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-chloro-5-fluoro-4-iodo-2-(trifluoromethoxy)benzene
CID 171002131
4-chloro-2-fluoro-5-methoxyphenol
CID 91801475
5-fluoro-4-iodo-2-methoxyaniline
CID 131593338
(5-chloro-2-fluoro-4-methoxyphenyl) thiohypochlorite
CID 172620902
1-chloro-5-iodo-2-methoxy-4-methylbenzene
CID 70931532
5-chloro-2-fluoro-4-methoxyphenol
CID 84655771
1-bromo-4-chloro-2-fluoro-5-methoxybenzene;4-chloro-2-fluoro-5-methoxyaniline
CID 158676801
1-ethoxy-4-fluoro-5-iodo-2-methoxybenzene
CID 59838060
1-chloro-5-fluoro-4-isothiocyanato-2-methoxybenzene
CID 11031300
1-chloro-2,4-difluoro-5-methoxybenzene
CID 124706419
5-chloro-1-fluoro-2-iodo-3-methoxybenzene
CID 170171606
1-(4-chloro-2-fluoro-5-methoxyphenyl)ethane-1,2-diamine
CID 66517708

Frequently Asked Questions

What is the IUPAC name of 1-chloro-5-fluoro-4-iodo-2-methoxybenzene?
The IUPAC name of 1-chloro-5-fluoro-4-iodo-2-methoxybenzene (CID 22625607) is 1-chloro-5-fluoro-4-iodo-2-methoxybenzene.
What is the SMILES notation for 1-chloro-5-fluoro-4-iodo-2-methoxybenzene?
The canonical SMILES for 1-chloro-5-fluoro-4-iodo-2-methoxybenzene is COc1cc(I)c(F)cc1Cl.
What is the InChIKey of 1-chloro-5-fluoro-4-iodo-2-methoxybenzene?
The InChIKey is IEUUOGFNHFWKBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClFIO/c1-11-7-3-6(10)5(9)2-4(7)8/h2-3H,1H3.
What are the key properties of 1-chloro-5-fluoro-4-iodo-2-methoxybenzene?
1-chloro-5-fluoro-4-iodo-2-methoxybenzene has a molecular weight of 286.47 g/mol, XLogP of 3.09, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-5-fluoro-4-iodo-2-methoxybenzene is sourced from PubChem (CID 22625607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).