1-(fluoromethyl)-3-iodo-2,4-dimethoxybenzene

C9H10FIO2 — CID 130934965

IUPAC1-(fluoromethyl)-3-iodo-2,4-dimethoxybenzene
SMILESCOc1ccc(CF)c(OC)c1I
InChIInChI=1S/C9H10FIO2/c1-12-7-4-3-6(5-10)9(13-2)8(7)11/h3-4H,5H2,1-2H3
InChIKeyUFMPKQGZRPBBCK-UHFFFAOYSA-N
MW296.08 g/mol
LogP2.78
Rot. Bonds3

About 1-(fluoromethyl)-3-iodo-2,4-dimethoxybenzene

1-(fluoromethyl)-3-iodo-2,4-dimethoxybenzene (PubChem CID 130934965) has the molecular formula C9H10FIO2 and a molecular weight of 296.08 g/mol. Its IUPAC name is 1-(fluoromethyl)-3-iodo-2,4-dimethoxybenzene.

Molecular Properties

Compound Name1-(fluoromethyl)-3-iodo-2,4-dimethoxybenzene
PubChem CID130934965
Molecular FormulaC9H10FIO2
Molecular Weight296.08 g/mol
Exact Mass295.97
IUPAC Name1-(fluoromethyl)-3-iodo-2,4-dimethoxybenzene
SMILESCOc1ccc(CF)c(OC)c1I
InChIInChI=1S/C9H10FIO2/c1-12-7-4-3-6(5-10)9(13-2)8(7)11/h3-4H,5H2,1-2H3
InChIKeyUFMPKQGZRPBBCK-UHFFFAOYSA-N
XLogP2.78
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.08
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,3-diiodo-1,4-dimethoxybenzene
CID 11653980
1-(fluoromethyl)-4-[4-(fluoromethyl)-2-iodo-3-(methoxymethyl)phenoxy]-3-iodo-2-(methoxymethyl)benzene
CID 141157489
2-ethoxy-3-iodo-1,4-dimethoxybenzene
CID 118824660
4-chloro-2-(fluoromethyl)-1-methoxybenzene
CID 142810663
1-fluoro-2-(fluoromethyl)-3,4-dimethoxybenzene
CID 118830405
2-(difluoromethoxy)-3-iodo-1,4-dimethoxybenzene
CID 118819202
1,2-bis(bromomethyl)-3,4-dimethoxybenzene
CID 154091401
1-fluoro-3-iodo-4-methoxy-2-(methoxymethoxy)benzene
CID 171367766
2-(2-iodo-3,4-dimethoxyphenyl)-N,N-dimethylethanamine
CID 10640506
4-(fluoromethyl)-3-methoxyphenol
CID 91883535
3-iodo-1,2-dimethoxy-4-methylbenzene
CID 131118438
3,7-diiodo-6-methoxy-2H-indazole
CID 53412472

Frequently Asked Questions

What is the IUPAC name of 1-(fluoromethyl)-3-iodo-2,4-dimethoxybenzene?
The IUPAC name of 1-(fluoromethyl)-3-iodo-2,4-dimethoxybenzene (CID 130934965) is 1-(fluoromethyl)-3-iodo-2,4-dimethoxybenzene.
What is the SMILES notation for 1-(fluoromethyl)-3-iodo-2,4-dimethoxybenzene?
The canonical SMILES for 1-(fluoromethyl)-3-iodo-2,4-dimethoxybenzene is COc1ccc(CF)c(OC)c1I.
What is the InChIKey of 1-(fluoromethyl)-3-iodo-2,4-dimethoxybenzene?
The InChIKey is UFMPKQGZRPBBCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FIO2/c1-12-7-4-3-6(5-10)9(13-2)8(7)11/h3-4H,5H2,1-2H3.
What are the key properties of 1-(fluoromethyl)-3-iodo-2,4-dimethoxybenzene?
1-(fluoromethyl)-3-iodo-2,4-dimethoxybenzene has a molecular weight of 296.08 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(fluoromethyl)-3-iodo-2,4-dimethoxybenzene is sourced from PubChem (CID 130934965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).