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

C8H14ClF3N2O — CID 119303349

IUPAC(2S)-2-amino-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)propanamide;hydrochloride
SMILESC=CCN(CC(F)(F)F)C(=O)[C@H](C)N.Cl
InChIInChI=1S/C8H13F3N2O.ClH/c1-3-4-13(5-8(9,10)11)7(14)6(2)12;/h3,6H,1,4-5,12H2,2H3;1H/t6-;/m0./s1
InChIKeyKCFPTVMDLCHKGD-RGMNGODLSA-N
MW246.66 g/mol
LogP1.33
Rot. Bonds4

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

(2S)-2-amino-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)propanamide;hydrochloride (PubChem CID 119303349) has the molecular formula C8H14ClF3N2O and a molecular weight of 246.66 g/mol. Its IUPAC name is (2S)-2-amino-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)propanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)propanamide;hydrochloride
PubChem CID119303349
Molecular FormulaC8H14ClF3N2O
Molecular Weight246.66 g/mol
Exact Mass246.07
IUPAC Name(2S)-2-amino-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)propanamide;hydrochloride
SMILESC=CCN(CC(F)(F)F)C(=O)[C@H](C)N.Cl
InChIInChI=1S/C8H13F3N2O.ClH/c1-3-4-13(5-8(9,10)11)7(14)6(2)12;/h3,6H,1,4-5,12H2,2H3;1H/t6-;/m0./s1
InChIKeyKCFPTVMDLCHKGD-RGMNGODLSA-N
XLogP1.33
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.66
LogP ≤ 51.33
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
CID 119303350
(2S)-2-amino-N-propyl-N-(2,2,2-trifluoroethyl)propanamide
CID 61146661
(2S)-2-amino-N-(2-hydroxyethyl)-N-prop-2-enylpropanamide
CID 104869516
(2S)-2-amino-N-methyl-N-(2,2,2-trifluoroethyl)propanamide
CID 61146828
(2S)-2-amino-N-(2-phenylethyl)-N-prop-2-enylpropanamide;hydrochloride
CID 119305394
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
(2R)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylpropanamide;hydrochloride
CID 119270779
2-amino-3-methoxy-N,N-bis(prop-2-enyl)propanamide
CID 81081149
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
2-amino-4-methylsulfanyl-N,N-bis(prop-2-enyl)butanamide
CID 76892115

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)propanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)propanamide;hydrochloride (CID 119303349) is (2S)-2-amino-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)propanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)propanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)propanamide;hydrochloride is C=CCN(CC(F)(F)F)C(=O)[C@H](C)N.Cl.
What is the InChIKey of (2S)-2-amino-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)propanamide;hydrochloride?
The InChIKey is KCFPTVMDLCHKGD-RGMNGODLSA-N. The full InChI is InChI=1S/C8H13F3N2O.ClH/c1-3-4-13(5-8(9,10)11)7(14)6(2)12;/h3,6H,1,4-5,12H2,2H3;1H/t6-;/m0./s1.
What are the key properties of (2S)-2-amino-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)propanamide;hydrochloride?
(2S)-2-amino-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)propanamide;hydrochloride has a molecular weight of 246.66 g/mol, XLogP of 1.33, 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;hydrochloride is sourced from PubChem (CID 119303349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).