(2S)-2-amino-N-propyl-N-(2,2,2-trifluoroethyl)propanamide

C8H15F3N2O — CID 61146661

IUPAC(2S)-2-amino-N-propyl-N-(2,2,2-trifluoroethyl)propanamide
SMILESCCCN(CC(F)(F)F)C(=O)[C@H](C)N
InChIInChI=1S/C8H15F3N2O/c1-3-4-13(5-8(9,10)11)7(14)6(2)12/h6H,3-5,12H2,1-2H3/t6-/m0/s1
InChIKeyUPQJPEIXXIWWEI-LURJTMIESA-N
MW212.21 g/mol
LogP1.13
Rot. Bonds4

About (2S)-2-amino-N-propyl-N-(2,2,2-trifluoroethyl)propanamide

(2S)-2-amino-N-propyl-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 61146661) has the molecular formula C8H15F3N2O and a molecular weight of 212.21 g/mol. Its IUPAC name is (2S)-2-amino-N-propyl-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-propyl-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID61146661
Molecular FormulaC8H15F3N2O
Molecular Weight212.21 g/mol
Exact Mass212.11
IUPAC Name(2S)-2-amino-N-propyl-N-(2,2,2-trifluoroethyl)propanamide
SMILESCCCN(CC(F)(F)F)C(=O)[C@H](C)N
InChIInChI=1S/C8H15F3N2O/c1-3-4-13(5-8(9,10)11)7(14)6(2)12/h6H,3-5,12H2,1-2H3/t6-/m0/s1
InChIKeyUPQJPEIXXIWWEI-LURJTMIESA-N
XLogP1.13
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-3,3-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)butanamide
CID 61164894
(2S)-2-amino-N-butyl-3-methyl-N-(2,2,2-trifluoroethyl)butanamide
CID 61164133
2-amino-4-methylsulfonyl-N-propyl-N-(2,2,2-trifluoroethyl)butanamide
CID 60944737
(2S)-2-amino-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)propanamide
CID 119303350
N-propyl-N-(2,2,2-trifluoroethyl)acetamide
CID 60756977
3,3-dimethyl-2-[propyl(2,2,2-trifluoroethyl)carbamoyl]butanoic acid
CID 116536982
(2S)-2-amino-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)propanamide;hydrochloride
CID 119303349
(2S)-2-amino-N-butyl-N-(2,2,2-trifluoroethyl)butanamide
CID 79024297
(2S)-2-amino-3-phenyl-N-propyl-N-(2,2,2-trifluoroethyl)propanamide
CID 61164512
(2S)-2-amino-N-methyl-N-(2,2,2-trifluoroethyl)propanamide
CID 61146828
4-[butyl(2,2,2-trifluoroethyl)amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103497733
N-(2-bromoethyl)-2-ethyl-N-(2,2,2-trifluoroethyl)butanamide
CID 107492651

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-propyl-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of (2S)-2-amino-N-propyl-N-(2,2,2-trifluoroethyl)propanamide (CID 61146661) is (2S)-2-amino-N-propyl-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for (2S)-2-amino-N-propyl-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for (2S)-2-amino-N-propyl-N-(2,2,2-trifluoroethyl)propanamide is CCCN(CC(F)(F)F)C(=O)[C@H](C)N.
What is the InChIKey of (2S)-2-amino-N-propyl-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is UPQJPEIXXIWWEI-LURJTMIESA-N. The full InChI is InChI=1S/C8H15F3N2O/c1-3-4-13(5-8(9,10)11)7(14)6(2)12/h6H,3-5,12H2,1-2H3/t6-/m0/s1.
What are the key properties of (2S)-2-amino-N-propyl-N-(2,2,2-trifluoroethyl)propanamide?
(2S)-2-amino-N-propyl-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 212.21 g/mol, XLogP of 1.13, 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-propyl-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 61146661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).