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

C8H10F3NO2 — CID 165466912

IUPAC2,2-difluoro-3-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)propanoic acid
SMILESO=C(O)C(F)(F)CN1CCC=C(F)C1
InChIInChI=1S/C8H10F3NO2/c9-6-2-1-3-12(4-6)5-8(10,11)7(13)14/h2H,1,3-5H2,(H,13,14)
InChIKeyAEVRIVBNMZLDAX-UHFFFAOYSA-N
MW209.17 g/mol
LogP1.27
Rot. Bonds3

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

2,2-difluoro-3-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)propanoic acid (PubChem CID 165466912) has the molecular formula C8H10F3NO2 and a molecular weight of 209.17 g/mol. Its IUPAC name is 2,2-difluoro-3-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)propanoic acid.

Molecular Properties

Compound Name2,2-difluoro-3-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)propanoic acid
PubChem CID165466912
Molecular FormulaC8H10F3NO2
Molecular Weight209.17 g/mol
Exact Mass209.07
IUPAC Name2,2-difluoro-3-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)propanoic acid
SMILESO=C(O)C(F)(F)CN1CCC=C(F)C1
InChIInChI=1S/C8H10F3NO2/c9-6-2-1-3-12(4-6)5-8(10,11)7(13)14/h2H,1,3-5H2,(H,13,14)
InChIKeyAEVRIVBNMZLDAX-UHFFFAOYSA-N
XLogP1.27
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.17
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)propanoic acid?
The IUPAC name of 2,2-difluoro-3-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)propanoic acid (CID 165466912) is 2,2-difluoro-3-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)propanoic acid.
What is the SMILES notation for 2,2-difluoro-3-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)propanoic acid?
The canonical SMILES for 2,2-difluoro-3-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)propanoic acid is O=C(O)C(F)(F)CN1CCC=C(F)C1.
What is the InChIKey of 2,2-difluoro-3-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)propanoic acid?
The InChIKey is AEVRIVBNMZLDAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NO2/c9-6-2-1-3-12(4-6)5-8(10,11)7(13)14/h2H,1,3-5H2,(H,13,14).
What are the key properties of 2,2-difluoro-3-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)propanoic acid?
2,2-difluoro-3-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)propanoic acid has a molecular weight of 209.17 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)propanoic acid is sourced from PubChem (CID 165466912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).