2-amino-3,3,3-trifluoro-2-methyl-N-(oxan-4-ylmethyl)propanamide

C10H17F3N2O2 — CID 79812234

IUPAC2-amino-3,3,3-trifluoro-2-methyl-N-(oxan-4-ylmethyl)propanamide
SMILESCC(N)(C(=O)NCC1CCOCC1)C(F)(F)F
InChIInChI=1S/C10H17F3N2O2/c1-9(14,10(11,12)13)8(16)15-6-7-2-4-17-5-3-7/h7H,2-6,14H2,1H3,(H,15,16)
InChIKeyBDTJAZUJVPRIQH-UHFFFAOYSA-N
MW254.25 g/mol
LogP0.81
Rot. Bonds3

About 2-amino-3,3,3-trifluoro-2-methyl-N-(oxan-4-ylmethyl)propanamide

2-amino-3,3,3-trifluoro-2-methyl-N-(oxan-4-ylmethyl)propanamide (PubChem CID 79812234) has the molecular formula C10H17F3N2O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is 2-amino-3,3,3-trifluoro-2-methyl-N-(oxan-4-ylmethyl)propanamide.

Molecular Properties

Compound Name2-amino-3,3,3-trifluoro-2-methyl-N-(oxan-4-ylmethyl)propanamide
PubChem CID79812234
Molecular FormulaC10H17F3N2O2
Molecular Weight254.25 g/mol
Exact Mass254.12
IUPAC Name2-amino-3,3,3-trifluoro-2-methyl-N-(oxan-4-ylmethyl)propanamide
SMILESCC(N)(C(=O)NCC1CCOCC1)C(F)(F)F
InChIInChI=1S/C10H17F3N2O2/c1-9(14,10(11,12)13)8(16)15-6-7-2-4-17-5-3-7/h7H,2-6,14H2,1H3,(H,15,16)
InChIKeyBDTJAZUJVPRIQH-UHFFFAOYSA-N
XLogP0.81
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3,3,3-trifluoro-2-methyl-N-(oxan-4-ylmethyl)propanamide?
The IUPAC name of 2-amino-3,3,3-trifluoro-2-methyl-N-(oxan-4-ylmethyl)propanamide (CID 79812234) is 2-amino-3,3,3-trifluoro-2-methyl-N-(oxan-4-ylmethyl)propanamide.
What is the SMILES notation for 2-amino-3,3,3-trifluoro-2-methyl-N-(oxan-4-ylmethyl)propanamide?
The canonical SMILES for 2-amino-3,3,3-trifluoro-2-methyl-N-(oxan-4-ylmethyl)propanamide is CC(N)(C(=O)NCC1CCOCC1)C(F)(F)F.
What is the InChIKey of 2-amino-3,3,3-trifluoro-2-methyl-N-(oxan-4-ylmethyl)propanamide?
The InChIKey is BDTJAZUJVPRIQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O2/c1-9(14,10(11,12)13)8(16)15-6-7-2-4-17-5-3-7/h7H,2-6,14H2,1H3,(H,15,16).
What are the key properties of 2-amino-3,3,3-trifluoro-2-methyl-N-(oxan-4-ylmethyl)propanamide?
2-amino-3,3,3-trifluoro-2-methyl-N-(oxan-4-ylmethyl)propanamide has a molecular weight of 254.25 g/mol, XLogP of 0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,3,3-trifluoro-2-methyl-N-(oxan-4-ylmethyl)propanamide is sourced from PubChem (CID 79812234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).