5-chloro-1-fluoro-2-iodo-3-methoxybenzene

C7H5ClFIO — CID 170171606

IUPAC5-chloro-1-fluoro-2-iodo-3-methoxybenzene
SMILESCOc1cc(Cl)cc(F)c1I
InChIInChI=1S/C7H5ClFIO/c1-11-6-3-4(8)2-5(9)7(6)10/h2-3H,1H3
InChIKeyPAQROMIOCNKSNG-UHFFFAOYSA-N
MW286.47 g/mol
LogP3.09
Rot. Bonds1

About 5-chloro-1-fluoro-2-iodo-3-methoxybenzene

5-chloro-1-fluoro-2-iodo-3-methoxybenzene (PubChem CID 170171606) has the molecular formula C7H5ClFIO and a molecular weight of 286.47 g/mol. Its IUPAC name is 5-chloro-1-fluoro-2-iodo-3-methoxybenzene.

Molecular Properties

Compound Name5-chloro-1-fluoro-2-iodo-3-methoxybenzene
PubChem CID170171606
Molecular FormulaC7H5ClFIO
Molecular Weight286.47 g/mol
Exact Mass285.91
IUPAC Name5-chloro-1-fluoro-2-iodo-3-methoxybenzene
SMILESCOc1cc(Cl)cc(F)c1I
InChIInChI=1S/C7H5ClFIO/c1-11-6-3-4(8)2-5(9)7(6)10/h2-3H,1H3
InChIKeyPAQROMIOCNKSNG-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

5-chloro-1-(chloromethyl)-2-iodo-3-methoxybenzene
CID 171002615
1,5-dichloro-3-fluoro-2-iodobenzene
CID 50998607
4-chloro-2-fluoro-6-methoxybenzoic acid
CID 53399475
1-(4-chloro-2-methoxyphenyl)-2,3,4,5,6-pentafluorobenzene
CID 118805876
1-chloro-5-fluoro-4-iodo-2-methoxybenzene
CID 22625607
1-fluoro-4-iodo-2-methoxybenzene
CID 26598241
4,6-dichloro-2-(4-fluoro-3-methoxyphenyl)-5-iodopyrimidine
CID 107922643
2-(2-bromophenyl)-5-chloro-1-fluoro-3-methoxybenzene
CID 175404972
5-chloro-7-fluoro-3-methoxy-1-benzothiophene
CID 130866178
1,3-dichloro-5-(4-fluoro-3-methoxyphenyl)benzene
CID 134623746
5-fluoro-2-iodo-1-methoxy-3-methylbenzene
CID 170171425
5-chloro-2-(4-fluorophenyl)-3-methoxyaniline
CID 90459925

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-fluoro-2-iodo-3-methoxybenzene?
The IUPAC name of 5-chloro-1-fluoro-2-iodo-3-methoxybenzene (CID 170171606) is 5-chloro-1-fluoro-2-iodo-3-methoxybenzene.
What is the SMILES notation for 5-chloro-1-fluoro-2-iodo-3-methoxybenzene?
The canonical SMILES for 5-chloro-1-fluoro-2-iodo-3-methoxybenzene is COc1cc(Cl)cc(F)c1I.
What is the InChIKey of 5-chloro-1-fluoro-2-iodo-3-methoxybenzene?
The InChIKey is PAQROMIOCNKSNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClFIO/c1-11-6-3-4(8)2-5(9)7(6)10/h2-3H,1H3.
What are the key properties of 5-chloro-1-fluoro-2-iodo-3-methoxybenzene?
5-chloro-1-fluoro-2-iodo-3-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 5-chloro-1-fluoro-2-iodo-3-methoxybenzene is sourced from PubChem (CID 170171606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).