1-fluoro-3-iodo-4-methoxy-2-(methoxymethoxy)benzene

C9H10FIO3 — CID 171367766

IUPAC1-fluoro-3-iodo-4-methoxy-2-(methoxymethoxy)benzene
SMILESCOCOc1c(F)ccc(OC)c1I
InChIInChI=1S/C9H10FIO3/c1-12-5-14-9-6(10)3-4-7(13-2)8(9)11/h3-4H,5H2,1-2H3
InChIKeyTYXJPPMONRITJY-UHFFFAOYSA-N
MW312.08 g/mol
LogP2.42
Rot. Bonds4

About 1-fluoro-3-iodo-4-methoxy-2-(methoxymethoxy)benzene

1-fluoro-3-iodo-4-methoxy-2-(methoxymethoxy)benzene (PubChem CID 171367766) has the molecular formula C9H10FIO3 and a molecular weight of 312.08 g/mol. Its IUPAC name is 1-fluoro-3-iodo-4-methoxy-2-(methoxymethoxy)benzene.

Molecular Properties

Compound Name1-fluoro-3-iodo-4-methoxy-2-(methoxymethoxy)benzene
PubChem CID171367766
Molecular FormulaC9H10FIO3
Molecular Weight312.08 g/mol
Exact Mass311.97
IUPAC Name1-fluoro-3-iodo-4-methoxy-2-(methoxymethoxy)benzene
SMILESCOCOc1c(F)ccc(OC)c1I
InChIInChI=1S/C9H10FIO3/c1-12-5-14-9-6(10)3-4-7(13-2)8(9)11/h3-4H,5H2,1-2H3
InChIKeyTYXJPPMONRITJY-UHFFFAOYSA-N
XLogP2.42
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.08
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-iodo-4-methoxy-2-(methoxymethoxy)benzene?
The IUPAC name of 1-fluoro-3-iodo-4-methoxy-2-(methoxymethoxy)benzene (CID 171367766) is 1-fluoro-3-iodo-4-methoxy-2-(methoxymethoxy)benzene.
What is the SMILES notation for 1-fluoro-3-iodo-4-methoxy-2-(methoxymethoxy)benzene?
The canonical SMILES for 1-fluoro-3-iodo-4-methoxy-2-(methoxymethoxy)benzene is COCOc1c(F)ccc(OC)c1I.
What is the InChIKey of 1-fluoro-3-iodo-4-methoxy-2-(methoxymethoxy)benzene?
The InChIKey is TYXJPPMONRITJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FIO3/c1-12-5-14-9-6(10)3-4-7(13-2)8(9)11/h3-4H,5H2,1-2H3.
What are the key properties of 1-fluoro-3-iodo-4-methoxy-2-(methoxymethoxy)benzene?
1-fluoro-3-iodo-4-methoxy-2-(methoxymethoxy)benzene has a molecular weight of 312.08 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-iodo-4-methoxy-2-(methoxymethoxy)benzene is sourced from PubChem (CID 171367766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).