5-[(2-fluoro-3-methylphenoxy)methyl]-2-methyltetrazole

C10H11FN4O — CID 107661914

IUPAC5-[(2-fluoro-3-methylphenoxy)methyl]-2-methyltetrazole
SMILESCc1cccc(OCc2nnn(C)n2)c1F
InChIInChI=1S/C10H11FN4O/c1-7-4-3-5-8(10(7)11)16-6-9-12-14-15(2)13-9/h3-5H,6H2,1-2H3
InChIKeyODVHHLUTJWWOIR-UHFFFAOYSA-N
MW222.22 g/mol
LogP1.24
Rot. Bonds3

About 5-[(2-fluoro-3-methylphenoxy)methyl]-2-methyltetrazole

5-[(2-fluoro-3-methylphenoxy)methyl]-2-methyltetrazole (PubChem CID 107661914) has the molecular formula C10H11FN4O and a molecular weight of 222.22 g/mol. Its IUPAC name is 5-[(2-fluoro-3-methylphenoxy)methyl]-2-methyltetrazole.

Molecular Properties

Compound Name5-[(2-fluoro-3-methylphenoxy)methyl]-2-methyltetrazole
PubChem CID107661914
Molecular FormulaC10H11FN4O
Molecular Weight222.22 g/mol
Exact Mass222.09
IUPAC Name5-[(2-fluoro-3-methylphenoxy)methyl]-2-methyltetrazole
SMILESCc1cccc(OCc2nnn(C)n2)c1F
InChIInChI=1S/C10H11FN4O/c1-7-4-3-5-8(10(7)11)16-6-9-12-14-15(2)13-9/h3-5H,6H2,1-2H3
InChIKeyODVHHLUTJWWOIR-UHFFFAOYSA-N
XLogP1.24
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.22
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2,3-dimethylphenoxy)methyl]-2-methyltetrazole
CID 107055284
5-[(2-bromophenoxy)methyl]-2-methyltetrazole
CID 107043106
5-[(5-chloro-2-methylphenoxy)methyl]-2-methyltetrazole
CID 107055238
5-[(4-bromo-2-methylphenoxy)methyl]-2-methyltetrazole
CID 107043113
5-[(2-fluoro-3-methylphenoxy)methyl]-1-methylimidazole
CID 103990878
2-amino-6-[(2-methyltetrazol-5-yl)methoxy]benzoic acid
CID 107341596
N-[[3-methyl-2-[(2-methyltetrazol-5-yl)methoxy]phenyl]methyl]ethanamine
CID 107041605
[3-fluoro-4-[(2-methyltetrazol-5-yl)methoxy]phenyl]methanol
CID 107690642
3-[5-fluoro-2-[(2-methyltetrazol-5-yl)methoxy]phenyl]prop-2-yn-1-amine
CID 107051752
2-[(2-methyltetrazol-5-yl)methoxy]naphthalene-1-carbaldehyde
CID 107043143
N-[[2-[(2-methyltetrazol-5-yl)methoxy]phenyl]methyl]propan-1-amine
CID 107041124
3-fluoro-4-[(2-methyltetrazol-5-yl)methoxy]benzenesulfonyl chloride
CID 107041913

Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluoro-3-methylphenoxy)methyl]-2-methyltetrazole?
The IUPAC name of 5-[(2-fluoro-3-methylphenoxy)methyl]-2-methyltetrazole (CID 107661914) is 5-[(2-fluoro-3-methylphenoxy)methyl]-2-methyltetrazole.
What is the SMILES notation for 5-[(2-fluoro-3-methylphenoxy)methyl]-2-methyltetrazole?
The canonical SMILES for 5-[(2-fluoro-3-methylphenoxy)methyl]-2-methyltetrazole is Cc1cccc(OCc2nnn(C)n2)c1F.
What is the InChIKey of 5-[(2-fluoro-3-methylphenoxy)methyl]-2-methyltetrazole?
The InChIKey is ODVHHLUTJWWOIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN4O/c1-7-4-3-5-8(10(7)11)16-6-9-12-14-15(2)13-9/h3-5H,6H2,1-2H3.
What are the key properties of 5-[(2-fluoro-3-methylphenoxy)methyl]-2-methyltetrazole?
5-[(2-fluoro-3-methylphenoxy)methyl]-2-methyltetrazole has a molecular weight of 222.22 g/mol, XLogP of 1.24, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluoro-3-methylphenoxy)methyl]-2-methyltetrazole is sourced from PubChem (CID 107661914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).