2-amino-3,3,3-trifluoro-2-methyl-N-[1-(oxolan-2-yl)ethyl]propanamide

C10H17F3N2O2 — CID 79797608

IUPAC2-amino-3,3,3-trifluoro-2-methyl-N-[1-(oxolan-2-yl)ethyl]propanamide
SMILESCC(NC(=O)C(C)(N)C(F)(F)F)C1CCCO1
InChIInChI=1S/C10H17F3N2O2/c1-6(7-4-3-5-17-7)15-8(16)9(2,14)10(11,12)13/h6-7H,3-5,14H2,1-2H3,(H,15,16)
InChIKeyUGVWKMQGZINTOS-UHFFFAOYSA-N
MW254.25 g/mol
LogP0.95
Rot. Bonds3

About 2-amino-3,3,3-trifluoro-2-methyl-N-[1-(oxolan-2-yl)ethyl]propanamide

2-amino-3,3,3-trifluoro-2-methyl-N-[1-(oxolan-2-yl)ethyl]propanamide (PubChem CID 79797608) 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-[1-(oxolan-2-yl)ethyl]propanamide.

Molecular Properties

Compound Name2-amino-3,3,3-trifluoro-2-methyl-N-[1-(oxolan-2-yl)ethyl]propanamide
PubChem CID79797608
Molecular FormulaC10H17F3N2O2
Molecular Weight254.25 g/mol
Exact Mass254.12
IUPAC Name2-amino-3,3,3-trifluoro-2-methyl-N-[1-(oxolan-2-yl)ethyl]propanamide
SMILESCC(NC(=O)C(C)(N)C(F)(F)F)C1CCCO1
InChIInChI=1S/C10H17F3N2O2/c1-6(7-4-3-5-17-7)15-8(16)9(2,14)10(11,12)13/h6-7H,3-5,14H2,1-2H3,(H,15,16)
InChIKeyUGVWKMQGZINTOS-UHFFFAOYSA-N
XLogP0.95
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 ≤ 50.95
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-[1-(oxolan-2-yl)ethyl]propanamide?
The IUPAC name of 2-amino-3,3,3-trifluoro-2-methyl-N-[1-(oxolan-2-yl)ethyl]propanamide (CID 79797608) is 2-amino-3,3,3-trifluoro-2-methyl-N-[1-(oxolan-2-yl)ethyl]propanamide.
What is the SMILES notation for 2-amino-3,3,3-trifluoro-2-methyl-N-[1-(oxolan-2-yl)ethyl]propanamide?
The canonical SMILES for 2-amino-3,3,3-trifluoro-2-methyl-N-[1-(oxolan-2-yl)ethyl]propanamide is CC(NC(=O)C(C)(N)C(F)(F)F)C1CCCO1.
What is the InChIKey of 2-amino-3,3,3-trifluoro-2-methyl-N-[1-(oxolan-2-yl)ethyl]propanamide?
The InChIKey is UGVWKMQGZINTOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O2/c1-6(7-4-3-5-17-7)15-8(16)9(2,14)10(11,12)13/h6-7H,3-5,14H2,1-2H3,(H,15,16).
What are the key properties of 2-amino-3,3,3-trifluoro-2-methyl-N-[1-(oxolan-2-yl)ethyl]propanamide?
2-amino-3,3,3-trifluoro-2-methyl-N-[1-(oxolan-2-yl)ethyl]propanamide has a molecular weight of 254.25 g/mol, XLogP of 0.95, 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-[1-(oxolan-2-yl)ethyl]propanamide is sourced from PubChem (CID 79797608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).