3-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide

C9H15F3N2O3 — CID 64892771

IUPAC3-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
SMILESNC1(C(=O)N(CCO)CC(F)(F)F)CCOC1
InChIInChI=1S/C9H15F3N2O3/c10-9(11,12)5-14(2-3-15)7(16)8(13)1-4-17-6-8/h15H,1-6,13H2
InChIKeyQHWPLJBMIWSAIK-UHFFFAOYSA-N
MW256.22 g/mol
LogP-0.51
Rot. Bonds4

About 3-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide

3-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide (PubChem CID 64892771) has the molecular formula C9H15F3N2O3 and a molecular weight of 256.22 g/mol. Its IUPAC name is 3-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
PubChem CID64892771
Molecular FormulaC9H15F3N2O3
Molecular Weight256.22 g/mol
Exact Mass256.10
IUPAC Name3-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
SMILESNC1(C(=O)N(CCO)CC(F)(F)F)CCOC1
InChIInChI=1S/C9H15F3N2O3/c10-9(11,12)5-14(2-3-15)7(16)8(13)1-4-17-6-8/h15H,1-6,13H2
InChIKeyQHWPLJBMIWSAIK-UHFFFAOYSA-N
XLogP-0.51
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.22
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide?
The IUPAC name of 3-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide (CID 64892771) is 3-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide.
What is the SMILES notation for 3-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide?
The canonical SMILES for 3-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide is NC1(C(=O)N(CCO)CC(F)(F)F)CCOC1.
What is the InChIKey of 3-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide?
The InChIKey is QHWPLJBMIWSAIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O3/c10-9(11,12)5-14(2-3-15)7(16)8(13)1-4-17-6-8/h15H,1-6,13H2.
What are the key properties of 3-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide?
3-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide has a molecular weight of 256.22 g/mol, XLogP of -0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide is sourced from PubChem (CID 64892771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).