2-fluoro-4-[(2S)-2-hydroxy-3-(tetrazol-2-yl)propoxy]benzoic acid

C11H11FN4O4 — CID 139348321

IUPAC2-fluoro-4-[(2S)-2-hydroxy-3-(tetrazol-2-yl)propoxy]benzoic acid
SMILESO=C(O)c1ccc(OC[C@@H](O)Cn2ncnn2)cc1F
InChIInChI=1S/C11H11FN4O4/c12-10-3-8(1-2-9(10)11(18)19)20-5-7(17)4-16-14-6-13-15-16/h1-3,6-7,17H,4-5H2,(H,18,19)/t7-/m0/s1
InChIKeyRNUAMVFAPLJACQ-ZETCQYMHSA-N
MW282.23 g/mol
LogP-0.05
Rot. Bonds6

About 2-fluoro-4-[(2S)-2-hydroxy-3-(tetrazol-2-yl)propoxy]benzoic acid

2-fluoro-4-[(2S)-2-hydroxy-3-(tetrazol-2-yl)propoxy]benzoic acid (PubChem CID 139348321) has the molecular formula C11H11FN4O4 and a molecular weight of 282.23 g/mol. Its IUPAC name is 2-fluoro-4-[(2S)-2-hydroxy-3-(tetrazol-2-yl)propoxy]benzoic acid.

Molecular Properties

Compound Name2-fluoro-4-[(2S)-2-hydroxy-3-(tetrazol-2-yl)propoxy]benzoic acid
PubChem CID139348321
Molecular FormulaC11H11FN4O4
Molecular Weight282.23 g/mol
Exact Mass282.08
IUPAC Name2-fluoro-4-[(2S)-2-hydroxy-3-(tetrazol-2-yl)propoxy]benzoic acid
SMILESO=C(O)c1ccc(OC[C@@H](O)Cn2ncnn2)cc1F
InChIInChI=1S/C11H11FN4O4/c12-10-3-8(1-2-9(10)11(18)19)20-5-7(17)4-16-14-6-13-15-16/h1-3,6-7,17H,4-5H2,(H,18,19)/t7-/m0/s1
InChIKeyRNUAMVFAPLJACQ-ZETCQYMHSA-N
XLogP-0.05
TPSA110.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.23
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-[(2R)-2-azido-3-(tetrazol-2-yl)propoxy]-2-fluorobenzoic acid
CID 139347610
2-fluoro-4-(2-hydroxy-2-phenylethoxy)benzoic acid
CID 107675226
2-fluoro-4-(3-hydroxy-2-methylpropoxy)benzoic acid
CID 107675405
4-(3-amino-2-methyl-3-oxopropoxy)-2-fluorobenzoic acid
CID 107675315
4-(3-aminopropoxy)-2-fluorobenzoic acid
CID 107675382
4-[(2S)-2-methylsulfonyloxy-3-(tetrazol-2-yl)propoxy]benzoic acid
CID 139347580
2-fluoro-4-[(1-methylpyrazol-4-yl)methoxy]benzoic acid
CID 107675415
2-fluoro-4-[(2R)-2-hydroxy-3-(tetrazol-1-yl)propoxy]benzaldehyde
CID 139347552
2-fluoro-4-(3,3,3-trifluoropropoxy)benzoic acid
CID 69019004
4-[(4-bromo-3-fluorophenoxy)methyl]-2-fluorobenzoic acid
CID 106698455
1-[(2S)-3-(3,4-difluorophenoxy)-2-hydroxypropyl]piperidin-4-one
CID 71605093
4-but-3-enoxy-2-fluorobenzoic acid
CID 107675377

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[(2S)-2-hydroxy-3-(tetrazol-2-yl)propoxy]benzoic acid?
The IUPAC name of 2-fluoro-4-[(2S)-2-hydroxy-3-(tetrazol-2-yl)propoxy]benzoic acid (CID 139348321) is 2-fluoro-4-[(2S)-2-hydroxy-3-(tetrazol-2-yl)propoxy]benzoic acid.
What is the SMILES notation for 2-fluoro-4-[(2S)-2-hydroxy-3-(tetrazol-2-yl)propoxy]benzoic acid?
The canonical SMILES for 2-fluoro-4-[(2S)-2-hydroxy-3-(tetrazol-2-yl)propoxy]benzoic acid is O=C(O)c1ccc(OC[C@@H](O)Cn2ncnn2)cc1F.
What is the InChIKey of 2-fluoro-4-[(2S)-2-hydroxy-3-(tetrazol-2-yl)propoxy]benzoic acid?
The InChIKey is RNUAMVFAPLJACQ-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H11FN4O4/c12-10-3-8(1-2-9(10)11(18)19)20-5-7(17)4-16-14-6-13-15-16/h1-3,6-7,17H,4-5H2,(H,18,19)/t7-/m0/s1.
What are the key properties of 2-fluoro-4-[(2S)-2-hydroxy-3-(tetrazol-2-yl)propoxy]benzoic acid?
2-fluoro-4-[(2S)-2-hydroxy-3-(tetrazol-2-yl)propoxy]benzoic acid has a molecular weight of 282.23 g/mol, XLogP of -0.05, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[(2S)-2-hydroxy-3-(tetrazol-2-yl)propoxy]benzoic acid is sourced from PubChem (CID 139348321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).