(2S)-2-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)hexanamide

C11H21F3N2O — CID 107144500

IUPAC(2S)-2-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)hexanamide
SMILESCCCC[C@H](N)C(=O)N(CC(F)(F)F)C(C)C
InChIInChI=1S/C11H21F3N2O/c1-4-5-6-9(15)10(17)16(8(2)3)7-11(12,13)14/h8-9H,4-7,15H2,1-3H3/t9-/m0/s1
InChIKeyWHEPXZLNGGLPKX-VIFPVBQESA-N
MW254.30 g/mol
LogP2.30
Rot. Bonds6

About (2S)-2-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)hexanamide

(2S)-2-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)hexanamide (PubChem CID 107144500) has the molecular formula C11H21F3N2O and a molecular weight of 254.30 g/mol. Its IUPAC name is (2S)-2-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)hexanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)hexanamide
PubChem CID107144500
Molecular FormulaC11H21F3N2O
Molecular Weight254.30 g/mol
Exact Mass254.16
IUPAC Name(2S)-2-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)hexanamide
SMILESCCCC[C@H](N)C(=O)N(CC(F)(F)F)C(C)C
InChIInChI=1S/C11H21F3N2O/c1-4-5-6-9(15)10(17)16(8(2)3)7-11(12,13)14/h8-9H,4-7,15H2,1-3H3/t9-/m0/s1
InChIKeyWHEPXZLNGGLPKX-VIFPVBQESA-N
XLogP2.30
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)hexanamide
CID 54872172
(2S)-2-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)butanamide
CID 79024502
(2S)-2-amino-N-(2-cyanoethyl)-N-propan-2-ylhexanamide
CID 107143877
(2S)-2-amino-3-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)butanamide
CID 61165092
methyl 2-[[(2S)-2-aminohexanoyl]-propan-2-ylamino]acetate
CID 93371915
2-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)propanamide
CID 60770828
(2R)-2-amino-3,3-dimethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)butanamide
CID 103929257
(2S)-2-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)hexanamide
CID 107144494
(2R)-2-amino-N-methyl-N-(2,2,2-trifluoroethyl)pentanamide
CID 107568767
(2R)-2-amino-N,N-dimethylhexanamide
CID 87696829
2,2,2-trifluoro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 64592645
2-methyl-3-oxo-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanoic acid
CID 114897583

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)hexanamide?
The IUPAC name of (2S)-2-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)hexanamide (CID 107144500) is (2S)-2-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)hexanamide.
What is the SMILES notation for (2S)-2-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)hexanamide?
The canonical SMILES for (2S)-2-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)hexanamide is CCCC[C@H](N)C(=O)N(CC(F)(F)F)C(C)C.
What is the InChIKey of (2S)-2-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)hexanamide?
The InChIKey is WHEPXZLNGGLPKX-VIFPVBQESA-N. The full InChI is InChI=1S/C11H21F3N2O/c1-4-5-6-9(15)10(17)16(8(2)3)7-11(12,13)14/h8-9H,4-7,15H2,1-3H3/t9-/m0/s1.
What are the key properties of (2S)-2-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)hexanamide?
(2S)-2-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)hexanamide has a molecular weight of 254.30 g/mol, XLogP of 2.30, 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-propan-2-yl-N-(2,2,2-trifluoroethyl)hexanamide is sourced from PubChem (CID 107144500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).