2-(prop-2-enylamino)-N-(2,2,2-trifluoroethyl)propanamide

C8H13F3N2O — CID 115571380

IUPAC2-(prop-2-enylamino)-N-(2,2,2-trifluoroethyl)propanamide
SMILESC=CCNC(C)C(=O)NCC(F)(F)F
InChIInChI=1S/C8H13F3N2O/c1-3-4-12-6(2)7(14)13-5-8(9,10)11/h3,6,12H,1,4-5H2,2H3,(H,13,14)
InChIKeyCGCNKSLIUBJMMT-UHFFFAOYSA-N
MW210.20 g/mol
LogP0.83
Rot. Bonds5

About 2-(prop-2-enylamino)-N-(2,2,2-trifluoroethyl)propanamide

2-(prop-2-enylamino)-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 115571380) has the molecular formula C8H13F3N2O and a molecular weight of 210.20 g/mol. Its IUPAC name is 2-(prop-2-enylamino)-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-(prop-2-enylamino)-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID115571380
Molecular FormulaC8H13F3N2O
Molecular Weight210.20 g/mol
Exact Mass210.10
IUPAC Name2-(prop-2-enylamino)-N-(2,2,2-trifluoroethyl)propanamide
SMILESC=CCNC(C)C(=O)NCC(F)(F)F
InChIInChI=1S/C8H13F3N2O/c1-3-4-12-6(2)7(14)13-5-8(9,10)11/h3,6,12H,1,4-5H2,2H3,(H,13,14)
InChIKeyCGCNKSLIUBJMMT-UHFFFAOYSA-N
XLogP0.83
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.20
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 20099299
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CID 54448225
(2S)-2-[[(E)-4,4,4-trifluorobut-2-enyl]amino]butanamide
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(2S)-2-(4,4,4-trifluorobut-2-enylamino)butanamide
CID 86644986
2-(1-Fluoroprop-2-enylamino)propanamide
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2-amino-N-[(Z)-3,4,4-trifluorobut-2-enyl]propanamide
CID 88317782
2-amino-N-(3,4,4-trifluorobut-2-enyl)propanamide;hydrochloride
CID 140380237
2-(3-Fluoroprop-2-enylamino)propanamide
CID 173179196
N-propan-2-yl-2-(2,2,2-trifluoroethylamino)propanamide
CID 43089171
N-prop-2-enyl-2-(2,2,2-trifluoroethylamino)propanamide
CID 43089174
N-propyl-2-(2,2,2-trifluoroethylamino)propanamide
CID 43089176
2-(prop-2-enylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 60647098

Frequently Asked Questions

What is the IUPAC name of 2-(prop-2-enylamino)-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-(prop-2-enylamino)-N-(2,2,2-trifluoroethyl)propanamide (CID 115571380) is 2-(prop-2-enylamino)-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-(prop-2-enylamino)-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-(prop-2-enylamino)-N-(2,2,2-trifluoroethyl)propanamide is C=CCNC(C)C(=O)NCC(F)(F)F.
What is the InChIKey of 2-(prop-2-enylamino)-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is CGCNKSLIUBJMMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O/c1-3-4-12-6(2)7(14)13-5-8(9,10)11/h3,6,12H,1,4-5H2,2H3,(H,13,14).
What are the key properties of 2-(prop-2-enylamino)-N-(2,2,2-trifluoroethyl)propanamide?
2-(prop-2-enylamino)-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 210.20 g/mol, XLogP of 0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(prop-2-enylamino)-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 115571380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).