(2S)-2-amino-N-butyl-N-(2,2,2-trifluoroethyl)butanamide

C10H19F3N2O — CID 79024297

IUPAC(2S)-2-amino-N-butyl-N-(2,2,2-trifluoroethyl)butanamide
SMILESCCCCN(CC(F)(F)F)C(=O)[C@@H](N)CC
InChIInChI=1S/C10H19F3N2O/c1-3-5-6-15(7-10(11,12)13)9(16)8(14)4-2/h8H,3-7,14H2,1-2H3/t8-/m0/s1
InChIKeyPTGXPTQROIZGQQ-QMMMGPOBSA-N
MW240.27 g/mol
LogP1.91
Rot. Bonds6

About (2S)-2-amino-N-butyl-N-(2,2,2-trifluoroethyl)butanamide

(2S)-2-amino-N-butyl-N-(2,2,2-trifluoroethyl)butanamide (PubChem CID 79024297) has the molecular formula C10H19F3N2O and a molecular weight of 240.27 g/mol. Its IUPAC name is (2S)-2-amino-N-butyl-N-(2,2,2-trifluoroethyl)butanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-butyl-N-(2,2,2-trifluoroethyl)butanamide
PubChem CID79024297
Molecular FormulaC10H19F3N2O
Molecular Weight240.27 g/mol
Exact Mass240.14
IUPAC Name(2S)-2-amino-N-butyl-N-(2,2,2-trifluoroethyl)butanamide
SMILESCCCCN(CC(F)(F)F)C(=O)[C@@H](N)CC
InChIInChI=1S/C10H19F3N2O/c1-3-5-6-15(7-10(11,12)13)9(16)8(14)4-2/h8H,3-7,14H2,1-2H3/t8-/m0/s1
InChIKeyPTGXPTQROIZGQQ-QMMMGPOBSA-N
XLogP1.91
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-butyl-3-methyl-N-(2,2,2-trifluoroethyl)butanamide
CID 61164133
2-(aminomethyl)-N-butyl-4,4-dimethyl-N-(2,2,2-trifluoroethyl)pentanamide
CID 107471569
2-[2-aminobutanoyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258497
(2S)-2-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)hexanamide
CID 107144494
4-[butyl(2,2,2-trifluoroethyl)amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103497733
2-amino-N-(2-amino-2-oxoethyl)-N-butylbutanamide
CID 60946996
(2R)-2-amino-N-butyl-2-phenyl-N-(2,2,2-trifluoroethyl)acetamide
CID 61164511
(2S)-2-amino-N-propyl-N-(2,2,2-trifluoroethyl)propanamide
CID 61146661
3-amino-N-butyl-2-methyl-3-phenyl-N-(2,2,2-trifluoroethyl)propanamide;hydrochloride
CID 119733462
2-amino-4-methylsulfonyl-N-propyl-N-(2,2,2-trifluoroethyl)butanamide
CID 60944737
(2S)-2-amino-3,3-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)butanamide
CID 61164894
(2R)-2-amino-N,N-dibutylpentanamide
CID 103793770

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-butyl-N-(2,2,2-trifluoroethyl)butanamide?
The IUPAC name of (2S)-2-amino-N-butyl-N-(2,2,2-trifluoroethyl)butanamide (CID 79024297) is (2S)-2-amino-N-butyl-N-(2,2,2-trifluoroethyl)butanamide.
What is the SMILES notation for (2S)-2-amino-N-butyl-N-(2,2,2-trifluoroethyl)butanamide?
The canonical SMILES for (2S)-2-amino-N-butyl-N-(2,2,2-trifluoroethyl)butanamide is CCCCN(CC(F)(F)F)C(=O)[C@@H](N)CC.
What is the InChIKey of (2S)-2-amino-N-butyl-N-(2,2,2-trifluoroethyl)butanamide?
The InChIKey is PTGXPTQROIZGQQ-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H19F3N2O/c1-3-5-6-15(7-10(11,12)13)9(16)8(14)4-2/h8H,3-7,14H2,1-2H3/t8-/m0/s1.
What are the key properties of (2S)-2-amino-N-butyl-N-(2,2,2-trifluoroethyl)butanamide?
(2S)-2-amino-N-butyl-N-(2,2,2-trifluoroethyl)butanamide has a molecular weight of 240.27 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-butyl-N-(2,2,2-trifluoroethyl)butanamide is sourced from PubChem (CID 79024297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).