2-fluoro-2-(1-propylpiperidin-4-ylidene)acetic acid

C10H16FNO2 — CID 79728907

IUPAC2-fluoro-2-(1-propylpiperidin-4-ylidene)acetic acid
SMILESCCCN1CCC(=C(F)C(=O)O)CC1
InChIInChI=1S/C10H16FNO2/c1-2-5-12-6-3-8(4-7-12)9(11)10(13)14/h2-7H2,1H3,(H,13,14)
InChIKeyFNHQPJZJDQPBAA-UHFFFAOYSA-N
MW201.24 g/mol
LogP1.80
Rot. Bonds3

About 2-fluoro-2-(1-propylpiperidin-4-ylidene)acetic acid

2-fluoro-2-(1-propylpiperidin-4-ylidene)acetic acid (PubChem CID 79728907) has the molecular formula C10H16FNO2 and a molecular weight of 201.24 g/mol. Its IUPAC name is 2-fluoro-2-(1-propylpiperidin-4-ylidene)acetic acid.

Molecular Properties

Compound Name2-fluoro-2-(1-propylpiperidin-4-ylidene)acetic acid
PubChem CID79728907
Molecular FormulaC10H16FNO2
Molecular Weight201.24 g/mol
Exact Mass201.12
IUPAC Name2-fluoro-2-(1-propylpiperidin-4-ylidene)acetic acid
SMILESCCCN1CCC(=C(F)C(=O)O)CC1
InChIInChI=1S/C10H16FNO2/c1-2-5-12-6-3-8(4-7-12)9(11)10(13)14/h2-7H2,1H3,(H,13,14)
InChIKeyFNHQPJZJDQPBAA-UHFFFAOYSA-N
XLogP1.80
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 ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(1-propylpiperidin-4-ylidene)acetic acid?
The IUPAC name of 2-fluoro-2-(1-propylpiperidin-4-ylidene)acetic acid (CID 79728907) is 2-fluoro-2-(1-propylpiperidin-4-ylidene)acetic acid.
What is the SMILES notation for 2-fluoro-2-(1-propylpiperidin-4-ylidene)acetic acid?
The canonical SMILES for 2-fluoro-2-(1-propylpiperidin-4-ylidene)acetic acid is CCCN1CCC(=C(F)C(=O)O)CC1.
What is the InChIKey of 2-fluoro-2-(1-propylpiperidin-4-ylidene)acetic acid?
The InChIKey is FNHQPJZJDQPBAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FNO2/c1-2-5-12-6-3-8(4-7-12)9(11)10(13)14/h2-7H2,1H3,(H,13,14).
What are the key properties of 2-fluoro-2-(1-propylpiperidin-4-ylidene)acetic acid?
2-fluoro-2-(1-propylpiperidin-4-ylidene)acetic acid has a molecular weight of 201.24 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(1-propylpiperidin-4-ylidene)acetic acid is sourced from PubChem (CID 79728907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).