1-(fluoromethyl)-3-iodo-2,5-dimethoxybenzene

C9H10FIO2 — CID 118824680

IUPAC1-(fluoromethyl)-3-iodo-2,5-dimethoxybenzene
SMILESCOc1cc(I)c(OC)c(CF)c1
InChIInChI=1S/C9H10FIO2/c1-12-7-3-6(5-10)9(13-2)8(11)4-7/h3-4H,5H2,1-2H3
InChIKeyMBWTZEWKOHJBFX-UHFFFAOYSA-N
MW296.08 g/mol
LogP2.78
Rot. Bonds3

About 1-(fluoromethyl)-3-iodo-2,5-dimethoxybenzene

1-(fluoromethyl)-3-iodo-2,5-dimethoxybenzene (PubChem CID 118824680) has the molecular formula C9H10FIO2 and a molecular weight of 296.08 g/mol. Its IUPAC name is 1-(fluoromethyl)-3-iodo-2,5-dimethoxybenzene.

Molecular Properties

Compound Name1-(fluoromethyl)-3-iodo-2,5-dimethoxybenzene
PubChem CID118824680
Molecular FormulaC9H10FIO2
Molecular Weight296.08 g/mol
Exact Mass295.97
IUPAC Name1-(fluoromethyl)-3-iodo-2,5-dimethoxybenzene
SMILESCOc1cc(I)c(OC)c(CF)c1
InChIInChI=1S/C9H10FIO2/c1-12-7-3-6(5-10)9(13-2)8(11)4-7/h3-4H,5H2,1-2H3
InChIKeyMBWTZEWKOHJBFX-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

1-butyl-3-(3-iodo-2,5-dimethoxyphenyl)-2,5-dimethoxybenzene
CID 163664325
1-(difluoromethoxy)-3-iodo-2,5-dimethoxybenzene
CID 118852977
5-(fluoromethyl)-1-iodo-2,3-dimethoxybenzene
CID 118818993
2-chloro-1-(chloromethyl)-3-iodo-5-methoxybenzene
CID 171003114
2-(chloromethyl)-6-iodo-4-methoxybenzonitrile
CID 171018685
2-(hydroxymethyl)-6-iodo-4-methoxybenzonitrile
CID 131284232
methyl 3-iodo-2,5-dimethoxybenzoate
CID 134648385
(2-chloro-3-iodo-5-methoxyphenyl)methanol
CID 171003289
1-(fluoromethyl)-3-iodo-2,4-dimethoxybenzene
CID 130934965
3-(hydroxymethyl)-5-iodo-4-methoxybenzonitrile
CID 131285018
1-[3-(2-fluoroethylsulfanyl)-2,5-dimethoxyphenyl]propan-2-amine
CID 71236348
2-(fluoromethyl)-4-methoxybenzaldehyde
CID 141044211

Frequently Asked Questions

What is the IUPAC name of 1-(fluoromethyl)-3-iodo-2,5-dimethoxybenzene?
The IUPAC name of 1-(fluoromethyl)-3-iodo-2,5-dimethoxybenzene (CID 118824680) is 1-(fluoromethyl)-3-iodo-2,5-dimethoxybenzene.
What is the SMILES notation for 1-(fluoromethyl)-3-iodo-2,5-dimethoxybenzene?
The canonical SMILES for 1-(fluoromethyl)-3-iodo-2,5-dimethoxybenzene is COc1cc(I)c(OC)c(CF)c1.
What is the InChIKey of 1-(fluoromethyl)-3-iodo-2,5-dimethoxybenzene?
The InChIKey is MBWTZEWKOHJBFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FIO2/c1-12-7-3-6(5-10)9(13-2)8(11)4-7/h3-4H,5H2,1-2H3.
What are the key properties of 1-(fluoromethyl)-3-iodo-2,5-dimethoxybenzene?
1-(fluoromethyl)-3-iodo-2,5-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-2,5-dimethoxybenzene is sourced from PubChem (CID 118824680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).