2-fluoro-2-(1,2,3,6-tetrahydropyridin-4-yl)acetic acid

C7H10FNO2 — CID 105431148

IUPAC2-fluoro-2-(1,2,3,6-tetrahydropyridin-4-yl)acetic acid
SMILESO=C(O)C(F)C1=CCNCC1
InChIInChI=1S/C7H10FNO2/c8-6(7(10)11)5-1-3-9-4-2-5/h1,6,9H,2-4H2,(H,10,11)
InChIKeyZSDBWBUQORRTSB-UHFFFAOYSA-N
MW159.16 g/mol
LogP0.33
Rot. Bonds2

About 2-fluoro-2-(1,2,3,6-tetrahydropyridin-4-yl)acetic acid

2-fluoro-2-(1,2,3,6-tetrahydropyridin-4-yl)acetic acid (PubChem CID 105431148) has the molecular formula C7H10FNO2 and a molecular weight of 159.16 g/mol. Its IUPAC name is 2-fluoro-2-(1,2,3,6-tetrahydropyridin-4-yl)acetic acid.

Molecular Properties

Compound Name2-fluoro-2-(1,2,3,6-tetrahydropyridin-4-yl)acetic acid
PubChem CID105431148
Molecular FormulaC7H10FNO2
Molecular Weight159.16 g/mol
Exact Mass159.07
IUPAC Name2-fluoro-2-(1,2,3,6-tetrahydropyridin-4-yl)acetic acid
SMILESO=C(O)C(F)C1=CCNCC1
InChIInChI=1S/C7H10FNO2/c8-6(7(10)11)5-1-3-9-4-2-5/h1,6,9H,2-4H2,(H,10,11)
InChIKeyZSDBWBUQORRTSB-UHFFFAOYSA-N
XLogP0.33
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.16
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(1,2,3,6-tetrahydropyridin-4-yl)acetic acid?
The IUPAC name of 2-fluoro-2-(1,2,3,6-tetrahydropyridin-4-yl)acetic acid (CID 105431148) is 2-fluoro-2-(1,2,3,6-tetrahydropyridin-4-yl)acetic acid.
What is the SMILES notation for 2-fluoro-2-(1,2,3,6-tetrahydropyridin-4-yl)acetic acid?
The canonical SMILES for 2-fluoro-2-(1,2,3,6-tetrahydropyridin-4-yl)acetic acid is O=C(O)C(F)C1=CCNCC1.
What is the InChIKey of 2-fluoro-2-(1,2,3,6-tetrahydropyridin-4-yl)acetic acid?
The InChIKey is ZSDBWBUQORRTSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FNO2/c8-6(7(10)11)5-1-3-9-4-2-5/h1,6,9H,2-4H2,(H,10,11).
What are the key properties of 2-fluoro-2-(1,2,3,6-tetrahydropyridin-4-yl)acetic acid?
2-fluoro-2-(1,2,3,6-tetrahydropyridin-4-yl)acetic acid has a molecular weight of 159.16 g/mol, XLogP of 0.33, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(1,2,3,6-tetrahydropyridin-4-yl)acetic acid is sourced from PubChem (CID 105431148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).