3-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-2,2-dimethylpropanoic acid

C10H16FNO2 — CID 131010588

IUPAC3-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-2,2-dimethylpropanoic acid
SMILESCC(C)(CN1CCC=C(F)C1)C(=O)O
InChIInChI=1S/C10H16FNO2/c1-10(2,9(13)14)7-12-5-3-4-8(11)6-12/h4H,3,5-7H2,1-2H3,(H,13,14)
InChIKeyRXENXFKBPGWAEW-UHFFFAOYSA-N
MW201.24 g/mol
LogP1.66
Rot. Bonds3

About 3-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-2,2-dimethylpropanoic acid

3-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-2,2-dimethylpropanoic acid (PubChem CID 131010588) has the molecular formula C10H16FNO2 and a molecular weight of 201.24 g/mol. Its IUPAC name is 3-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-2,2-dimethylpropanoic acid
PubChem CID131010588
Molecular FormulaC10H16FNO2
Molecular Weight201.24 g/mol
Exact Mass201.12
IUPAC Name3-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-2,2-dimethylpropanoic acid
SMILESCC(C)(CN1CCC=C(F)C1)C(=O)O
InChIInChI=1S/C10H16FNO2/c1-10(2,9(13)14)7-12-5-3-4-8(11)6-12/h4H,3,5-7H2,1-2H3,(H,13,14)
InChIKeyRXENXFKBPGWAEW-UHFFFAOYSA-N
XLogP1.66
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.24
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-2,2-dimethylpropanoic acid?
The IUPAC name of 3-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-2,2-dimethylpropanoic acid (CID 131010588) is 3-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-2,2-dimethylpropanoic acid is CC(C)(CN1CCC=C(F)C1)C(=O)O.
What is the InChIKey of 3-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-2,2-dimethylpropanoic acid?
The InChIKey is RXENXFKBPGWAEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FNO2/c1-10(2,9(13)14)7-12-5-3-4-8(11)6-12/h4H,3,5-7H2,1-2H3,(H,13,14).
What are the key properties of 3-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-2,2-dimethylpropanoic acid?
3-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-2,2-dimethylpropanoic acid has a molecular weight of 201.24 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-2,2-dimethylpropanoic acid is sourced from PubChem (CID 131010588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).