N-[[(2,2,2-trifluoroacetyl)amino]methyl]prop-2-enamide

C6H7F3N2O2 — CID 134841934

IUPACN-[[(2,2,2-trifluoroacetyl)amino]methyl]prop-2-enamide
SMILESC=CC(=O)NCNC(=O)C(F)(F)F
InChIInChI=1S/C6H7F3N2O2/c1-2-4(12)10-3-11-5(13)6(7,8)9/h2H,1,3H2,(H,10,12)(H,11,13)
InChIKeyLULBCKMJDAIMEZ-UHFFFAOYSA-N
MW196.13 g/mol
LogP-0.08
Rot. Bonds3

About N-[[(2,2,2-trifluoroacetyl)amino]methyl]prop-2-enamide

N-[[(2,2,2-trifluoroacetyl)amino]methyl]prop-2-enamide (PubChem CID 134841934) has the molecular formula C6H7F3N2O2 and a molecular weight of 196.13 g/mol. Its IUPAC name is N-[[(2,2,2-trifluoroacetyl)amino]methyl]prop-2-enamide.

Molecular Properties

Compound NameN-[[(2,2,2-trifluoroacetyl)amino]methyl]prop-2-enamide
PubChem CID134841934
Molecular FormulaC6H7F3N2O2
Molecular Weight196.13 g/mol
Exact Mass196.05
IUPAC NameN-[[(2,2,2-trifluoroacetyl)amino]methyl]prop-2-enamide
SMILESC=CC(=O)NCNC(=O)C(F)(F)F
InChIInChI=1S/C6H7F3N2O2/c1-2-4(12)10-3-11-5(13)6(7,8)9/h2H,1,3H2,(H,10,12)(H,11,13)
InChIKeyLULBCKMJDAIMEZ-UHFFFAOYSA-N
XLogP-0.08
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.13
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[(2,2,2-trifluoroacetyl)amino]methyl]prop-2-enamide?
The IUPAC name of N-[[(2,2,2-trifluoroacetyl)amino]methyl]prop-2-enamide (CID 134841934) is N-[[(2,2,2-trifluoroacetyl)amino]methyl]prop-2-enamide.
What is the SMILES notation for N-[[(2,2,2-trifluoroacetyl)amino]methyl]prop-2-enamide?
The canonical SMILES for N-[[(2,2,2-trifluoroacetyl)amino]methyl]prop-2-enamide is C=CC(=O)NCNC(=O)C(F)(F)F.
What is the InChIKey of N-[[(2,2,2-trifluoroacetyl)amino]methyl]prop-2-enamide?
The InChIKey is LULBCKMJDAIMEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N2O2/c1-2-4(12)10-3-11-5(13)6(7,8)9/h2H,1,3H2,(H,10,12)(H,11,13).
What are the key properties of N-[[(2,2,2-trifluoroacetyl)amino]methyl]prop-2-enamide?
N-[[(2,2,2-trifluoroacetyl)amino]methyl]prop-2-enamide has a molecular weight of 196.13 g/mol, XLogP of -0.08, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2,2,2-trifluoroacetyl)amino]methyl]prop-2-enamide is sourced from PubChem (CID 134841934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).