(2S)-2-amino-3,3-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]butanamide

C10H19F3N2O2 — CID 63826364

IUPAC(2S)-2-amino-3,3-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]butanamide
SMILESCC(C)(C)[C@H](N)C(=O)NCCOCC(F)(F)F
InChIInChI=1S/C10H19F3N2O2/c1-9(2,3)7(14)8(16)15-4-5-17-6-10(11,12)13/h7H,4-6,14H2,1-3H3,(H,15,16)/t7-/m1/s1
InChIKeyQBSHDNVRCBAHSQ-SSDOTTSWSA-N
MW256.27 g/mol
LogP1.05
Rot. Bonds5

About (2S)-2-amino-3,3-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]butanamide

(2S)-2-amino-3,3-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]butanamide (PubChem CID 63826364) has the molecular formula C10H19F3N2O2 and a molecular weight of 256.27 g/mol. Its IUPAC name is (2S)-2-amino-3,3-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]butanamide.

Molecular Properties

Compound Name(2S)-2-amino-3,3-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]butanamide
PubChem CID63826364
Molecular FormulaC10H19F3N2O2
Molecular Weight256.27 g/mol
Exact Mass256.14
IUPAC Name(2S)-2-amino-3,3-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]butanamide
SMILESCC(C)(C)[C@H](N)C(=O)NCCOCC(F)(F)F
InChIInChI=1S/C10H19F3N2O2/c1-9(2,3)7(14)8(16)15-4-5-17-6-10(11,12)13/h7H,4-6,14H2,1-3H3,(H,15,16)/t7-/m1/s1
InChIKeyQBSHDNVRCBAHSQ-SSDOTTSWSA-N
XLogP1.05
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3,3-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]butanamide?
The IUPAC name of (2S)-2-amino-3,3-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]butanamide (CID 63826364) is (2S)-2-amino-3,3-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]butanamide.
What is the SMILES notation for (2S)-2-amino-3,3-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]butanamide?
The canonical SMILES for (2S)-2-amino-3,3-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]butanamide is CC(C)(C)[C@H](N)C(=O)NCCOCC(F)(F)F.
What is the InChIKey of (2S)-2-amino-3,3-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]butanamide?
The InChIKey is QBSHDNVRCBAHSQ-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H19F3N2O2/c1-9(2,3)7(14)8(16)15-4-5-17-6-10(11,12)13/h7H,4-6,14H2,1-3H3,(H,15,16)/t7-/m1/s1.
What are the key properties of (2S)-2-amino-3,3-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]butanamide?
(2S)-2-amino-3,3-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]butanamide has a molecular weight of 256.27 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3,3-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]butanamide is sourced from PubChem (CID 63826364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).