2-(1-amino-2,2,2-trifluoroethylidene)pentanoic acid

C7H10F3NO2 — CID 173359187

IUPAC2-(1-amino-2,2,2-trifluoroethylidene)pentanoic acid
SMILESCCCC(C(=O)O)=C(N)C(F)(F)F
InChIInChI=1S/C7H10F3NO2/c1-2-3-4(6(12)13)5(11)7(8,9)10/h2-3,11H2,1H3,(H,12,13)
InChIKeyRFTICBARIJMJFZ-UHFFFAOYSA-N
MW197.16 g/mol
LogP1.65
Rot. Bonds3

About 2-(1-amino-2,2,2-trifluoroethylidene)pentanoic acid

2-(1-amino-2,2,2-trifluoroethylidene)pentanoic acid (PubChem CID 173359187) has the molecular formula C7H10F3NO2 and a molecular weight of 197.16 g/mol. Its IUPAC name is 2-(1-amino-2,2,2-trifluoroethylidene)pentanoic acid.

Molecular Properties

Compound Name2-(1-amino-2,2,2-trifluoroethylidene)pentanoic acid
PubChem CID173359187
Molecular FormulaC7H10F3NO2
Molecular Weight197.16 g/mol
Exact Mass197.07
IUPAC Name2-(1-amino-2,2,2-trifluoroethylidene)pentanoic acid
SMILESCCCC(C(=O)O)=C(N)C(F)(F)F
InChIInChI=1S/C7H10F3NO2/c1-2-3-4(6(12)13)5(11)7(8,9)10/h2-3,11H2,1H3,(H,12,13)
InChIKeyRFTICBARIJMJFZ-UHFFFAOYSA-N
XLogP1.65
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.16
LogP ≤ 51.65
H-Bond Donors ≤ 52
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-(1-amino-2,2,2-trifluoroethylidene)pentanoic acid?
The IUPAC name of 2-(1-amino-2,2,2-trifluoroethylidene)pentanoic acid (CID 173359187) is 2-(1-amino-2,2,2-trifluoroethylidene)pentanoic acid.
What is the SMILES notation for 2-(1-amino-2,2,2-trifluoroethylidene)pentanoic acid?
The canonical SMILES for 2-(1-amino-2,2,2-trifluoroethylidene)pentanoic acid is CCCC(C(=O)O)=C(N)C(F)(F)F.
What is the InChIKey of 2-(1-amino-2,2,2-trifluoroethylidene)pentanoic acid?
The InChIKey is RFTICBARIJMJFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO2/c1-2-3-4(6(12)13)5(11)7(8,9)10/h2-3,11H2,1H3,(H,12,13).
What are the key properties of 2-(1-amino-2,2,2-trifluoroethylidene)pentanoic acid?
2-(1-amino-2,2,2-trifluoroethylidene)pentanoic acid has a molecular weight of 197.16 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-2,2,2-trifluoroethylidene)pentanoic acid is sourced from PubChem (CID 173359187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).