3,3-dimethylbutanoic acid;3-fluoropyridine

C11H16FNO2 — CID 171538348

IUPAC3,3-dimethylbutanoic acid;3-fluoropyridine
SMILESCC(C)(C)CC(=O)O.Fc1cccnc1
InChIInChI=1S/C6H12O2.C5H4FN/c1-6(2,3)4-5(7)8;6-5-2-1-3-7-4-5/h4H2,1-3H3,(H,7,8);1-4H
InChIKeyBVTLASHKCXBYFY-UHFFFAOYSA-N
MW213.25 g/mol
LogP2.73
Rot. Bonds1

About 3,3-dimethylbutanoic acid;3-fluoropyridine

3,3-dimethylbutanoic acid;3-fluoropyridine (PubChem CID 171538348) has the molecular formula C11H16FNO2 and a molecular weight of 213.25 g/mol. Its IUPAC name is 3,3-dimethylbutanoic acid;3-fluoropyridine.

Molecular Properties

Compound Name3,3-dimethylbutanoic acid;3-fluoropyridine
PubChem CID171538348
Molecular FormulaC11H16FNO2
Molecular Weight213.25 g/mol
Exact Mass213.12
IUPAC Name3,3-dimethylbutanoic acid;3-fluoropyridine
SMILESCC(C)(C)CC(=O)O.Fc1cccnc1
InChIInChI=1S/C6H12O2.C5H4FN/c1-6(2,3)4-5(7)8;6-5-2-1-3-7-4-5/h4H2,1-3H3,(H,7,8);1-4H
InChIKeyBVTLASHKCXBYFY-UHFFFAOYSA-N
XLogP2.73
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.25
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(18F)fluoropyridine
CID 24871782
3,3-dimethylbutanoic acid;yttrium
CID 59798482
3,3-dimethyl-4-[methyl(pyridin-3-yl)amino]-4-oxobutanoic acid
CID 115164800
5,5-dimethyl-1-pyridin-3-ylhexan-3-one
CID 58286829
3-(propylamino)-3-pyridin-3-ylbutanoic acid
CID 65234305
bis(3,3-dimethylbutanoic acid);hydrochloride
CID 172719072
3,3-dimethyl-4-(2-pyridin-3-ylethylamino)butanoic acid
CID 115220433
3-methyl-3-[methyl-(2-pyridin-3-yloxyacetyl)amino]butanoic acid
CID 110837098
(2S)-2-amino-2-pyridin-3-ylpropanoic acid;hydrochloride
CID 71485674
3,3-dimethyl-5-oxo-5-[[(1S)-1-pyridin-3-ylethyl]amino]pentanoic acid
CID 81407118
CID 174276018
CID 174276018
1-isoquinolin-8-yl-3,3-dimethylbutan-1-one
CID 103133892

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethylbutanoic acid;3-fluoropyridine?
The IUPAC name of 3,3-dimethylbutanoic acid;3-fluoropyridine (CID 171538348) is 3,3-dimethylbutanoic acid;3-fluoropyridine.
What is the SMILES notation for 3,3-dimethylbutanoic acid;3-fluoropyridine?
The canonical SMILES for 3,3-dimethylbutanoic acid;3-fluoropyridine is CC(C)(C)CC(=O)O.Fc1cccnc1.
What is the InChIKey of 3,3-dimethylbutanoic acid;3-fluoropyridine?
The InChIKey is BVTLASHKCXBYFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2.C5H4FN/c1-6(2,3)4-5(7)8;6-5-2-1-3-7-4-5/h4H2,1-3H3,(H,7,8);1-4H.
What are the key properties of 3,3-dimethylbutanoic acid;3-fluoropyridine?
3,3-dimethylbutanoic acid;3-fluoropyridine has a molecular weight of 213.25 g/mol, XLogP of 2.73, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethylbutanoic acid;3-fluoropyridine is sourced from PubChem (CID 171538348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).