4-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide

C10H17F3N2O2 — CID 66241453

IUPAC4-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
SMILESCC(C)N(CC(F)(F)F)C(=O)C1COCC1N
InChIInChI=1S/C10H17F3N2O2/c1-6(2)15(5-10(11,12)13)9(16)7-3-17-4-8(7)14/h6-8H,3-5,14H2,1-2H3
InChIKeyUXPYBJBSWQGUDK-UHFFFAOYSA-N
MW254.25 g/mol
LogP0.76
Rot. Bonds3

About 4-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide

4-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide (PubChem CID 66241453) has the molecular formula C10H17F3N2O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is 4-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
PubChem CID66241453
Molecular FormulaC10H17F3N2O2
Molecular Weight254.25 g/mol
Exact Mass254.12
IUPAC Name4-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
SMILESCC(C)N(CC(F)(F)F)C(=O)C1COCC1N
InChIInChI=1S/C10H17F3N2O2/c1-6(2)15(5-10(11,12)13)9(16)7-3-17-4-8(7)14/h6-8H,3-5,14H2,1-2H3
InChIKeyUXPYBJBSWQGUDK-UHFFFAOYSA-N
XLogP0.76
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide?
The IUPAC name of 4-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide (CID 66241453) is 4-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide.
What is the SMILES notation for 4-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide?
The canonical SMILES for 4-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide is CC(C)N(CC(F)(F)F)C(=O)C1COCC1N.
What is the InChIKey of 4-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide?
The InChIKey is UXPYBJBSWQGUDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O2/c1-6(2)15(5-10(11,12)13)9(16)7-3-17-4-8(7)14/h6-8H,3-5,14H2,1-2H3.
What are the key properties of 4-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide?
4-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide has a molecular weight of 254.25 g/mol, XLogP of 0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide is sourced from PubChem (CID 66241453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).