2-fluoro-2-(1-propan-2-ylpiperidin-4-ylidene)acetic acid

C10H16FNO2 — CID 79729364

IUPAC2-fluoro-2-(1-propan-2-ylpiperidin-4-ylidene)acetic acid
SMILESCC(C)N1CCC(=C(F)C(=O)O)CC1
InChIInChI=1S/C10H16FNO2/c1-7(2)12-5-3-8(4-6-12)9(11)10(13)14/h7H,3-6H2,1-2H3,(H,13,14)
InChIKeyYFMQWTXQMPHOOI-UHFFFAOYSA-N
MW201.24 g/mol
LogP1.80
Rot. Bonds2

About 2-fluoro-2-(1-propan-2-ylpiperidin-4-ylidene)acetic acid

2-fluoro-2-(1-propan-2-ylpiperidin-4-ylidene)acetic acid (PubChem CID 79729364) has the molecular formula C10H16FNO2 and a molecular weight of 201.24 g/mol. Its IUPAC name is 2-fluoro-2-(1-propan-2-ylpiperidin-4-ylidene)acetic acid.

Molecular Properties

Compound Name2-fluoro-2-(1-propan-2-ylpiperidin-4-ylidene)acetic acid
PubChem CID79729364
Molecular FormulaC10H16FNO2
Molecular Weight201.24 g/mol
Exact Mass201.12
IUPAC Name2-fluoro-2-(1-propan-2-ylpiperidin-4-ylidene)acetic acid
SMILESCC(C)N1CCC(=C(F)C(=O)O)CC1
InChIInChI=1S/C10H16FNO2/c1-7(2)12-5-3-8(4-6-12)9(11)10(13)14/h7H,3-6H2,1-2H3,(H,13,14)
InChIKeyYFMQWTXQMPHOOI-UHFFFAOYSA-N
XLogP1.80
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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-propan-2-ylpiperidin-4-ylidene)acetic acid?
The IUPAC name of 2-fluoro-2-(1-propan-2-ylpiperidin-4-ylidene)acetic acid (CID 79729364) is 2-fluoro-2-(1-propan-2-ylpiperidin-4-ylidene)acetic acid.
What is the SMILES notation for 2-fluoro-2-(1-propan-2-ylpiperidin-4-ylidene)acetic acid?
The canonical SMILES for 2-fluoro-2-(1-propan-2-ylpiperidin-4-ylidene)acetic acid is CC(C)N1CCC(=C(F)C(=O)O)CC1.
What is the InChIKey of 2-fluoro-2-(1-propan-2-ylpiperidin-4-ylidene)acetic acid?
The InChIKey is YFMQWTXQMPHOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FNO2/c1-7(2)12-5-3-8(4-6-12)9(11)10(13)14/h7H,3-6H2,1-2H3,(H,13,14).
What are the key properties of 2-fluoro-2-(1-propan-2-ylpiperidin-4-ylidene)acetic acid?
2-fluoro-2-(1-propan-2-ylpiperidin-4-ylidene)acetic acid has a molecular weight of 201.24 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(1-propan-2-ylpiperidin-4-ylidene)acetic acid is sourced from PubChem (CID 79729364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).