N-(3-amino-1,1,1-trifluoropropan-2-yl)oxolane-3-carboxamide

C8H13F3N2O2 — CID 165448713

IUPACN-(3-amino-1,1,1-trifluoropropan-2-yl)oxolane-3-carboxamide
SMILESNCC(NC(=O)C1CCOC1)C(F)(F)F
InChIInChI=1S/C8H13F3N2O2/c9-8(10,11)6(3-12)13-7(14)5-1-2-15-4-5/h5-6H,1-4,12H2,(H,13,14)
InChIKeyZYOKMVNAHVINNY-UHFFFAOYSA-N
MW226.20 g/mol
LogP0.03
Rot. Bonds3

About N-(3-amino-1,1,1-trifluoropropan-2-yl)oxolane-3-carboxamide

N-(3-amino-1,1,1-trifluoropropan-2-yl)oxolane-3-carboxamide (PubChem CID 165448713) has the molecular formula C8H13F3N2O2 and a molecular weight of 226.20 g/mol. Its IUPAC name is N-(3-amino-1,1,1-trifluoropropan-2-yl)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-(3-amino-1,1,1-trifluoropropan-2-yl)oxolane-3-carboxamide
PubChem CID165448713
Molecular FormulaC8H13F3N2O2
Molecular Weight226.20 g/mol
Exact Mass226.09
IUPAC NameN-(3-amino-1,1,1-trifluoropropan-2-yl)oxolane-3-carboxamide
SMILESNCC(NC(=O)C1CCOC1)C(F)(F)F
InChIInChI=1S/C8H13F3N2O2/c9-8(10,11)6(3-12)13-7(14)5-1-2-15-4-5/h5-6H,1-4,12H2,(H,13,14)
InChIKeyZYOKMVNAHVINNY-UHFFFAOYSA-N
XLogP0.03
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.20
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-1,1,1-trifluoropropan-2-yl)oxolane-3-carboxamide?
The IUPAC name of N-(3-amino-1,1,1-trifluoropropan-2-yl)oxolane-3-carboxamide (CID 165448713) is N-(3-amino-1,1,1-trifluoropropan-2-yl)oxolane-3-carboxamide.
What is the SMILES notation for N-(3-amino-1,1,1-trifluoropropan-2-yl)oxolane-3-carboxamide?
The canonical SMILES for N-(3-amino-1,1,1-trifluoropropan-2-yl)oxolane-3-carboxamide is NCC(NC(=O)C1CCOC1)C(F)(F)F.
What is the InChIKey of N-(3-amino-1,1,1-trifluoropropan-2-yl)oxolane-3-carboxamide?
The InChIKey is ZYOKMVNAHVINNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O2/c9-8(10,11)6(3-12)13-7(14)5-1-2-15-4-5/h5-6H,1-4,12H2,(H,13,14).
What are the key properties of N-(3-amino-1,1,1-trifluoropropan-2-yl)oxolane-3-carboxamide?
N-(3-amino-1,1,1-trifluoropropan-2-yl)oxolane-3-carboxamide has a molecular weight of 226.20 g/mol, XLogP of 0.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-1,1,1-trifluoropropan-2-yl)oxolane-3-carboxamide is sourced from PubChem (CID 165448713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).