methyl 2-fluoro-4-[(2-methyltetrazol-5-yl)methoxy]benzoate

C11H11FN4O3 — CID 167802184

IUPACmethyl 2-fluoro-4-[(2-methyltetrazol-5-yl)methoxy]benzoate
SMILESCOC(=O)c1ccc(OCc2nnn(C)n2)cc1F
InChIInChI=1S/C11H11FN4O3/c1-16-14-10(13-15-16)6-19-7-3-4-8(9(12)5-7)11(17)18-2/h3-5H,6H2,1-2H3
InChIKeyMRPFPCDRABNZLU-UHFFFAOYSA-N
MW266.23 g/mol
LogP0.71
Rot. Bonds4

About methyl 2-fluoro-4-[(2-methyltetrazol-5-yl)methoxy]benzoate

methyl 2-fluoro-4-[(2-methyltetrazol-5-yl)methoxy]benzoate (PubChem CID 167802184) has the molecular formula C11H11FN4O3 and a molecular weight of 266.23 g/mol. Its IUPAC name is methyl 2-fluoro-4-[(2-methyltetrazol-5-yl)methoxy]benzoate.

Molecular Properties

Compound Namemethyl 2-fluoro-4-[(2-methyltetrazol-5-yl)methoxy]benzoate
PubChem CID167802184
Molecular FormulaC11H11FN4O3
Molecular Weight266.23 g/mol
Exact Mass266.08
IUPAC Namemethyl 2-fluoro-4-[(2-methyltetrazol-5-yl)methoxy]benzoate
SMILESCOC(=O)c1ccc(OCc2nnn(C)n2)cc1F
InChIInChI=1S/C11H11FN4O3/c1-16-14-10(13-15-16)6-19-7-3-4-8(9(12)5-7)11(17)18-2/h3-5H,6H2,1-2H3
InChIKeyMRPFPCDRABNZLU-UHFFFAOYSA-N
XLogP0.71
TPSA79.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.23
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 4-(2-aminoethoxy)-2-fluorobenzoate;hydrochloride
CID 69211241
trifluoro-[4-[(2-methyltetrazol-5-yl)methoxy]phenyl]boranuide
CID 107044287
methyl 4-[(4-chloro-3-fluorophenoxy)methyl]-2-fluorobenzoate
CID 106698483
5-[(2-methyltetrazol-5-yl)methoxy]pyridine-2-carboxylic acid
CID 107043205
methyl 2-fluoro-4-octoxybenzoate
CID 59683755
[3-[(2-methyltetrazol-5-yl)methoxy]phenyl]methanol
CID 107043786
5-[(3-bromophenoxy)methyl]-2-methyltetrazole
CID 107043105
5-[(3,5-dimethylphenoxy)methyl]-2-methyltetrazole
CID 107055235
CID 66666881
CID 66666881
2-fluoro-5-methoxy-N-[(2-methyltetrazol-5-yl)methyl]aniline
CID 107042537
methyl 2-fluoro-4-[2-(methylamino)ethylamino]benzoate
CID 163518462
methyl 2-[(4-fluorophenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate
CID 117257964

Frequently Asked Questions

What is the IUPAC name of methyl 2-fluoro-4-[(2-methyltetrazol-5-yl)methoxy]benzoate?
The IUPAC name of methyl 2-fluoro-4-[(2-methyltetrazol-5-yl)methoxy]benzoate (CID 167802184) is methyl 2-fluoro-4-[(2-methyltetrazol-5-yl)methoxy]benzoate.
What is the SMILES notation for methyl 2-fluoro-4-[(2-methyltetrazol-5-yl)methoxy]benzoate?
The canonical SMILES for methyl 2-fluoro-4-[(2-methyltetrazol-5-yl)methoxy]benzoate is COC(=O)c1ccc(OCc2nnn(C)n2)cc1F.
What is the InChIKey of methyl 2-fluoro-4-[(2-methyltetrazol-5-yl)methoxy]benzoate?
The InChIKey is MRPFPCDRABNZLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN4O3/c1-16-14-10(13-15-16)6-19-7-3-4-8(9(12)5-7)11(17)18-2/h3-5H,6H2,1-2H3.
What are the key properties of methyl 2-fluoro-4-[(2-methyltetrazol-5-yl)methoxy]benzoate?
methyl 2-fluoro-4-[(2-methyltetrazol-5-yl)methoxy]benzoate has a molecular weight of 266.23 g/mol, XLogP of 0.71, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-fluoro-4-[(2-methyltetrazol-5-yl)methoxy]benzoate is sourced from PubChem (CID 167802184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).