(2S)-2-amino-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)propanamide

C8H13F3N2O — CID 119303350

IUPAC(2S)-2-amino-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)propanamide
SMILESC=CCN(CC(F)(F)F)C(=O)[C@H](C)N
InChIInChI=1S/C8H13F3N2O/c1-3-4-13(5-8(9,10)11)7(14)6(2)12/h3,6H,1,4-5,12H2,2H3/t6-/m0/s1
InChIKeyYOCDPLFHOMOLHA-LURJTMIESA-N
MW210.20 g/mol
LogP0.91
Rot. Bonds4

About (2S)-2-amino-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)propanamide

(2S)-2-amino-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 119303350) has the molecular formula C8H13F3N2O and a molecular weight of 210.20 g/mol. Its IUPAC name is (2S)-2-amino-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID119303350
Molecular FormulaC8H13F3N2O
Molecular Weight210.20 g/mol
Exact Mass210.10
IUPAC Name(2S)-2-amino-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)propanamide
SMILESC=CCN(CC(F)(F)F)C(=O)[C@H](C)N
InChIInChI=1S/C8H13F3N2O/c1-3-4-13(5-8(9,10)11)7(14)6(2)12/h3,6H,1,4-5,12H2,2H3/t6-/m0/s1
InChIKeyYOCDPLFHOMOLHA-LURJTMIESA-N
XLogP0.91
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.20
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)propanamide;hydrochloride
CID 119303349
(2S)-2-amino-N-(2-hydroxyethyl)-N-prop-2-enylpropanamide
CID 104869516
(2S)-2-amino-N-propyl-N-(2,2,2-trifluoroethyl)propanamide
CID 61146661
(2S)-2-amino-N-methyl-N-(2,2,2-trifluoroethyl)propanamide
CID 61146828
2-amino-3,3-dimethyl-N,N-bis(prop-2-enyl)butanamide
CID 76892270
2-amino-4-methyl-N,N-bis(prop-2-enyl)pentanamide
CID 24700331
(2S)-2-amino-N-(2-phenylethyl)-N-prop-2-enylpropanamide;hydrochloride
CID 119305394
3,3,3-trifluoro-N,N-bis(prop-2-enyl)propanamide
CID 176847603
2-amino-3-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)butanamide
CID 54871893
(2R)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylpropanamide;hydrochloride
CID 119270779
(2S)-2-amino-N-cyclopentyl-N-prop-2-enylpropanamide
CID 61145863
2,2,2-trifluoroethyl N-ethyl-N-prop-2-enylcarbamate
CID 78983348

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of (2S)-2-amino-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)propanamide (CID 119303350) is (2S)-2-amino-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for (2S)-2-amino-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for (2S)-2-amino-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)propanamide is C=CCN(CC(F)(F)F)C(=O)[C@H](C)N.
What is the InChIKey of (2S)-2-amino-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is YOCDPLFHOMOLHA-LURJTMIESA-N. The full InChI is InChI=1S/C8H13F3N2O/c1-3-4-13(5-8(9,10)11)7(14)6(2)12/h3,6H,1,4-5,12H2,2H3/t6-/m0/s1.
What are the key properties of (2S)-2-amino-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)propanamide?
(2S)-2-amino-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 210.20 g/mol, XLogP of 0.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 119303350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).