4-amino-3-methoxy-N-(2,2,2-trifluoroethyl)butanamide

C7H13F3N2O2 — CID 103154227

IUPAC4-amino-3-methoxy-N-(2,2,2-trifluoroethyl)butanamide
SMILESCOC(CN)CC(=O)NCC(F)(F)F
InChIInChI=1S/C7H13F3N2O2/c1-14-5(3-11)2-6(13)12-4-7(8,9)10/h5H,2-4,11H2,1H3,(H,12,13)
InChIKeyVTOPTWSYYDAGNF-UHFFFAOYSA-N
MW214.19 g/mol
LogP0.03
Rot. Bonds5

About 4-amino-3-methoxy-N-(2,2,2-trifluoroethyl)butanamide

4-amino-3-methoxy-N-(2,2,2-trifluoroethyl)butanamide (PubChem CID 103154227) has the molecular formula C7H13F3N2O2 and a molecular weight of 214.19 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-(2,2,2-trifluoroethyl)butanamide.

Molecular Properties

Compound Name4-amino-3-methoxy-N-(2,2,2-trifluoroethyl)butanamide
PubChem CID103154227
Molecular FormulaC7H13F3N2O2
Molecular Weight214.19 g/mol
Exact Mass214.09
IUPAC Name4-amino-3-methoxy-N-(2,2,2-trifluoroethyl)butanamide
SMILESCOC(CN)CC(=O)NCC(F)(F)F
InChIInChI=1S/C7H13F3N2O2/c1-14-5(3-11)2-6(13)12-4-7(8,9)10/h5H,2-4,11H2,1H3,(H,12,13)
InChIKeyVTOPTWSYYDAGNF-UHFFFAOYSA-N
XLogP0.03
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.19
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-(2,2,2-trifluoroethyl)butanamide?
The IUPAC name of 4-amino-3-methoxy-N-(2,2,2-trifluoroethyl)butanamide (CID 103154227) is 4-amino-3-methoxy-N-(2,2,2-trifluoroethyl)butanamide.
What is the SMILES notation for 4-amino-3-methoxy-N-(2,2,2-trifluoroethyl)butanamide?
The canonical SMILES for 4-amino-3-methoxy-N-(2,2,2-trifluoroethyl)butanamide is COC(CN)CC(=O)NCC(F)(F)F.
What is the InChIKey of 4-amino-3-methoxy-N-(2,2,2-trifluoroethyl)butanamide?
The InChIKey is VTOPTWSYYDAGNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N2O2/c1-14-5(3-11)2-6(13)12-4-7(8,9)10/h5H,2-4,11H2,1H3,(H,12,13).
What are the key properties of 4-amino-3-methoxy-N-(2,2,2-trifluoroethyl)butanamide?
4-amino-3-methoxy-N-(2,2,2-trifluoroethyl)butanamide has a molecular weight of 214.19 g/mol, XLogP of 0.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methoxy-N-(2,2,2-trifluoroethyl)butanamide is sourced from PubChem (CID 103154227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).