2-fluoro-5-iodo-3-methylphenol

C7H6FIO — CID 164892490

IUPAC2-fluoro-5-iodo-3-methylphenol
SMILESCc1cc(I)cc(O)c1F
InChIInChI=1S/C7H6FIO/c1-4-2-5(9)3-6(10)7(4)8/h2-3,10H,1H3
InChIKeyVJKNKXHNBBNDHF-UHFFFAOYSA-N
MW252.03 g/mol
LogP2.44
Rot. Bonds

About 2-fluoro-5-iodo-3-methylphenol

2-fluoro-5-iodo-3-methylphenol (PubChem CID 164892490) has the molecular formula C7H6FIO and a molecular weight of 252.03 g/mol. Its IUPAC name is 2-fluoro-5-iodo-3-methylphenol.

Molecular Properties

Compound Name2-fluoro-5-iodo-3-methylphenol
PubChem CID164892490
Molecular FormulaC7H6FIO
Molecular Weight252.03 g/mol
Exact Mass251.94
IUPAC Name2-fluoro-5-iodo-3-methylphenol
SMILESCc1cc(I)cc(O)c1F
InChIInChI=1S/C7H6FIO/c1-4-2-5(9)3-6(10)7(4)8/h2-3,10H,1H3
InChIKeyVJKNKXHNBBNDHF-UHFFFAOYSA-N
XLogP2.44
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.03
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-5-iodo-3-methylbenzoate
CID 53249655
2-fluoro-5-(2-hydroxypropan-2-yl)-3-methylphenol
CID 117279863
5-ethyl-2-fluoro-3-methylphenol
CID 89028057
2-fluoro-5-iodo-3-methylbenzaldehyde
CID 164891132
5-ethoxy-2-fluoro-3-methylphenol
CID 164891522
5-(2-aminopropyl)-2-fluoro-3-methylphenol
CID 117279526
4-fluoro-2,5-dimethylphenol
CID 22627623
3,6-difluoro-4-methylbenzene-1,2-diol
CID 20702368
4-iodo-2,6-dimethylphenolate
CID 154609611
2-(hydroxymethyl)-4-iodo-6-methylphenol
CID 74655415
4-iodo-2-methyl-6-propan-2-ylphenol
CID 158347336
6-amino-2,3-difluoro-4-methylphenol
CID 59444170

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-iodo-3-methylphenol?
The IUPAC name of 2-fluoro-5-iodo-3-methylphenol (CID 164892490) is 2-fluoro-5-iodo-3-methylphenol.
What is the SMILES notation for 2-fluoro-5-iodo-3-methylphenol?
The canonical SMILES for 2-fluoro-5-iodo-3-methylphenol is Cc1cc(I)cc(O)c1F.
What is the InChIKey of 2-fluoro-5-iodo-3-methylphenol?
The InChIKey is VJKNKXHNBBNDHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6FIO/c1-4-2-5(9)3-6(10)7(4)8/h2-3,10H,1H3.
What are the key properties of 2-fluoro-5-iodo-3-methylphenol?
2-fluoro-5-iodo-3-methylphenol has a molecular weight of 252.03 g/mol, XLogP of 2.44, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-iodo-3-methylphenol is sourced from PubChem (CID 164892490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).