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

C9H10FIO2 — CID 118818993

IUPAC5-(fluoromethyl)-1-iodo-2,3-dimethoxybenzene
SMILESCOc1cc(CF)cc(I)c1OC
InChIInChI=1S/C9H10FIO2/c1-12-8-4-6(5-10)3-7(11)9(8)13-2/h3-4H,5H2,1-2H3
InChIKeyZVQQONOEEMSJNB-UHFFFAOYSA-N
MW296.08 g/mol
LogP2.78
Rot. Bonds3

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

5-(fluoromethyl)-1-iodo-2,3-dimethoxybenzene (PubChem CID 118818993) has the molecular formula C9H10FIO2 and a molecular weight of 296.08 g/mol. Its IUPAC name is 5-(fluoromethyl)-1-iodo-2,3-dimethoxybenzene.

Molecular Properties

Compound Name5-(fluoromethyl)-1-iodo-2,3-dimethoxybenzene
PubChem CID118818993
Molecular FormulaC9H10FIO2
Molecular Weight296.08 g/mol
Exact Mass295.97
IUPAC Name5-(fluoromethyl)-1-iodo-2,3-dimethoxybenzene
SMILESCOc1cc(CF)cc(I)c1OC
InChIInChI=1S/C9H10FIO2/c1-12-8-4-6(5-10)3-7(11)9(8)13-2/h3-4H,5H2,1-2H3
InChIKeyZVQQONOEEMSJNB-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-iodo-4,5-dimethoxyphenyl)acetonitrile
CID 15133320
1-[5-(fluoromethyl)-2,3-dimethoxyphenyl]-N-methoxymethanamine
CID 117330352
O-[2-[5-(fluoromethyl)-2,3-dimethoxyphenyl]ethyl]hydroxylamine
CID 117330369
1-[(3-iodo-4,5-dimethoxyphenyl)methylamino]-3-methylbutan-2-ol
CID 119134636
[1-[5-(fluoromethyl)-2,3-dimethoxyphenyl]cyclopropyl]methanamine
CID 117351120
3-[5-(fluoromethyl)-2,3-dimethoxyphenyl]butanal
CID 117353378
(3-iodo-5-methoxy-4-propan-2-yloxyphenyl)methanol
CID 45371684
(1S)-N-[(3-iodo-4,5-dimethoxyphenyl)methyl]-1-phenylethanamine
CID 7390001
2-(3,5-diiodo-4-methoxyphenyl)acetonitrile
CID 90143526
2-[(3-iodo-4,5-dimethoxyphenyl)methyl-propan-2-ylamino]acetic acid
CID 122043863
5-(bromomethyl)-1,2,3-tri((113C)methoxy)benzene
CID 71752807
1-(fluoromethyl)-3-iodo-2,5-dimethoxybenzene
CID 118824680

Frequently Asked Questions

What is the IUPAC name of 5-(fluoromethyl)-1-iodo-2,3-dimethoxybenzene?
The IUPAC name of 5-(fluoromethyl)-1-iodo-2,3-dimethoxybenzene (CID 118818993) is 5-(fluoromethyl)-1-iodo-2,3-dimethoxybenzene.
What is the SMILES notation for 5-(fluoromethyl)-1-iodo-2,3-dimethoxybenzene?
The canonical SMILES for 5-(fluoromethyl)-1-iodo-2,3-dimethoxybenzene is COc1cc(CF)cc(I)c1OC.
What is the InChIKey of 5-(fluoromethyl)-1-iodo-2,3-dimethoxybenzene?
The InChIKey is ZVQQONOEEMSJNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FIO2/c1-12-8-4-6(5-10)3-7(11)9(8)13-2/h3-4H,5H2,1-2H3.
What are the key properties of 5-(fluoromethyl)-1-iodo-2,3-dimethoxybenzene?
5-(fluoromethyl)-1-iodo-2,3-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 5-(fluoromethyl)-1-iodo-2,3-dimethoxybenzene is sourced from PubChem (CID 118818993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).