2-amino-N-(3,4,4-trifluorobut-2-enyl)propanamide

C7H11F3N2O — CID 54448225

IUPAC2-amino-N-(3,4,4-trifluorobut-2-enyl)propanamide
SMILESCC(N)C(=O)NCC=C(F)C(F)F
InChIInChI=1S/C7H11F3N2O/c1-4(11)7(13)12-3-2-5(8)6(9)10/h2,4,6H,3,11H2,1H3,(H,12,13)
InChIKeyWTBSMEXWRZSDLO-UHFFFAOYSA-N
MW196.17 g/mol
LogP0.57
Rot. Bonds4

About 2-amino-N-(3,4,4-trifluorobut-2-enyl)propanamide

2-amino-N-(3,4,4-trifluorobut-2-enyl)propanamide (PubChem CID 54448225) has the molecular formula C7H11F3N2O and a molecular weight of 196.17 g/mol. Its IUPAC name is 2-amino-N-(3,4,4-trifluorobut-2-enyl)propanamide.

Molecular Properties

Compound Name2-amino-N-(3,4,4-trifluorobut-2-enyl)propanamide
PubChem CID54448225
Molecular FormulaC7H11F3N2O
Molecular Weight196.17 g/mol
Exact Mass196.08
IUPAC Name2-amino-N-(3,4,4-trifluorobut-2-enyl)propanamide
SMILESCC(N)C(=O)NCC=C(F)C(F)F
InChIInChI=1S/C7H11F3N2O/c1-4(11)7(13)12-3-2-5(8)6(9)10/h2,4,6H,3,11H2,1H3,(H,12,13)
InChIKeyWTBSMEXWRZSDLO-UHFFFAOYSA-N
XLogP0.57
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.17
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3,4,4-trifluorobut-2-enyl)propanamide?
The IUPAC name of 2-amino-N-(3,4,4-trifluorobut-2-enyl)propanamide (CID 54448225) is 2-amino-N-(3,4,4-trifluorobut-2-enyl)propanamide.
What is the SMILES notation for 2-amino-N-(3,4,4-trifluorobut-2-enyl)propanamide?
The canonical SMILES for 2-amino-N-(3,4,4-trifluorobut-2-enyl)propanamide is CC(N)C(=O)NCC=C(F)C(F)F.
What is the InChIKey of 2-amino-N-(3,4,4-trifluorobut-2-enyl)propanamide?
The InChIKey is WTBSMEXWRZSDLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N2O/c1-4(11)7(13)12-3-2-5(8)6(9)10/h2,4,6H,3,11H2,1H3,(H,12,13).
What are the key properties of 2-amino-N-(3,4,4-trifluorobut-2-enyl)propanamide?
2-amino-N-(3,4,4-trifluorobut-2-enyl)propanamide has a molecular weight of 196.17 g/mol, XLogP of 0.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3,4,4-trifluorobut-2-enyl)propanamide is sourced from PubChem (CID 54448225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).