2-formamido-N-(2,2,2-trifluoroethyl)propanamide

C6H9F3N2O2 — CID 144535999

IUPAC2-formamido-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(NC=O)C(=O)NCC(F)(F)F
InChIInChI=1S/C6H9F3N2O2/c1-4(11-3-12)5(13)10-2-6(7,8)9/h3-4H,2H2,1H3,(H,10,13)(H,11,12)
InChIKeyVIFBPNZPJXAKPI-UHFFFAOYSA-N
MW198.14 g/mol
LogP-0.20
Rot. Bonds4

About 2-formamido-N-(2,2,2-trifluoroethyl)propanamide

2-formamido-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 144535999) has the molecular formula C6H9F3N2O2 and a molecular weight of 198.14 g/mol. Its IUPAC name is 2-formamido-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-formamido-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID144535999
Molecular FormulaC6H9F3N2O2
Molecular Weight198.14 g/mol
Exact Mass198.06
IUPAC Name2-formamido-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(NC=O)C(=O)NCC(F)(F)F
InChIInChI=1S/C6H9F3N2O2/c1-4(11-3-12)5(13)10-2-6(7,8)9/h3-4H,2H2,1H3,(H,10,13)(H,11,12)
InChIKeyVIFBPNZPJXAKPI-UHFFFAOYSA-N
XLogP-0.20
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.14
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-formamido-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-formamido-N-(2,2,2-trifluoroethyl)propanamide (CID 144535999) is 2-formamido-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-formamido-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-formamido-N-(2,2,2-trifluoroethyl)propanamide is CC(NC=O)C(=O)NCC(F)(F)F.
What is the InChIKey of 2-formamido-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is VIFBPNZPJXAKPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3N2O2/c1-4(11-3-12)5(13)10-2-6(7,8)9/h3-4H,2H2,1H3,(H,10,13)(H,11,12).
What are the key properties of 2-formamido-N-(2,2,2-trifluoroethyl)propanamide?
2-formamido-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 198.14 g/mol, XLogP of -0.20, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-formamido-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 144535999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).