2-fluoro-3-hydroxy-3-[3-(tetrazol-1-yl)phenyl]butanoic acid

C11H11FN4O3 — CID 79367442

IUPAC2-fluoro-3-hydroxy-3-[3-(tetrazol-1-yl)phenyl]butanoic acid
SMILESCC(O)(c1cccc(-n2cnnn2)c1)C(F)C(=O)O
InChIInChI=1S/C11H11FN4O3/c1-11(19,9(12)10(17)18)7-3-2-4-8(5-7)16-6-13-14-15-16/h2-6,9,19H,1H3,(H,17,18)
InChIKeyYYHNSMOARWQZLJ-UHFFFAOYSA-N
MW266.23 g/mol
LogP0.29
Rot. Bonds4

About 2-fluoro-3-hydroxy-3-[3-(tetrazol-1-yl)phenyl]butanoic acid

2-fluoro-3-hydroxy-3-[3-(tetrazol-1-yl)phenyl]butanoic acid (PubChem CID 79367442) has the molecular formula C11H11FN4O3 and a molecular weight of 266.23 g/mol. Its IUPAC name is 2-fluoro-3-hydroxy-3-[3-(tetrazol-1-yl)phenyl]butanoic acid.

Molecular Properties

Compound Name2-fluoro-3-hydroxy-3-[3-(tetrazol-1-yl)phenyl]butanoic acid
PubChem CID79367442
Molecular FormulaC11H11FN4O3
Molecular Weight266.23 g/mol
Exact Mass266.08
IUPAC Name2-fluoro-3-hydroxy-3-[3-(tetrazol-1-yl)phenyl]butanoic acid
SMILESCC(O)(c1cccc(-n2cnnn2)c1)C(F)C(=O)O
InChIInChI=1S/C11H11FN4O3/c1-11(19,9(12)10(17)18)7-3-2-4-8(5-7)16-6-13-14-15-16/h2-6,9,19H,1H3,(H,17,18)
InChIKeyYYHNSMOARWQZLJ-UHFFFAOYSA-N
XLogP0.29
TPSA101.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.23
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-hydroxy-2-methyl-3-[3-(tetrazol-1-yl)phenyl]butanoic acid
CID 55071612
2-hydroxy-2-[3-(tetrazol-1-yl)phenyl]propanoic acid
CID 61237433
2-hydroxy-2-[3-(tetrazol-1-yl)phenyl]propanamide
CID 62225652
2-(butan-2-ylamino)-2-[3-(tetrazol-1-yl)phenyl]propanoic acid
CID 61024143
ethyl 3-hydroxy-3-[3-(tetrazol-1-yl)phenyl]butanoate
CID 62393971
(2S)-2-[3-(tetrazol-1-yl)phenoxy]propanoic acid
CID 7026167
2-[[3-(tetrazol-1-yl)phenyl]sulfamoyl]propanoic acid
CID 61454990
(2S)-4-methyl-2-[[3-(tetrazol-1-yl)benzoyl]amino]pentanoic acid
CID 119361740
2-methyl-2-(methylamino)-N-[3-(tetrazol-1-yl)phenyl]propanamide
CID 62836405
[3-(tetrazol-1-yl)phenyl] 4-tert-butylbenzenesulfonate
CID 26942777
tert-butyl N-[2-[[3-(tetrazol-1-yl)benzoyl]amino]ethyl]carbamate
CID 51095808
[(2R)-1-oxo-1-phenylpropan-2-yl] 3-(tetrazol-1-yl)benzoate
CID 30825028

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-hydroxy-3-[3-(tetrazol-1-yl)phenyl]butanoic acid?
The IUPAC name of 2-fluoro-3-hydroxy-3-[3-(tetrazol-1-yl)phenyl]butanoic acid (CID 79367442) is 2-fluoro-3-hydroxy-3-[3-(tetrazol-1-yl)phenyl]butanoic acid.
What is the SMILES notation for 2-fluoro-3-hydroxy-3-[3-(tetrazol-1-yl)phenyl]butanoic acid?
The canonical SMILES for 2-fluoro-3-hydroxy-3-[3-(tetrazol-1-yl)phenyl]butanoic acid is CC(O)(c1cccc(-n2cnnn2)c1)C(F)C(=O)O.
What is the InChIKey of 2-fluoro-3-hydroxy-3-[3-(tetrazol-1-yl)phenyl]butanoic acid?
The InChIKey is YYHNSMOARWQZLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN4O3/c1-11(19,9(12)10(17)18)7-3-2-4-8(5-7)16-6-13-14-15-16/h2-6,9,19H,1H3,(H,17,18).
What are the key properties of 2-fluoro-3-hydroxy-3-[3-(tetrazol-1-yl)phenyl]butanoic acid?
2-fluoro-3-hydroxy-3-[3-(tetrazol-1-yl)phenyl]butanoic acid has a molecular weight of 266.23 g/mol, XLogP of 0.29, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-hydroxy-3-[3-(tetrazol-1-yl)phenyl]butanoic acid is sourced from PubChem (CID 79367442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).