3-amino-N-(3,3,3-trifluoropropyl)oxolane-3-carboxamide

C8H13F3N2O2 — CID 64892203

IUPAC3-amino-N-(3,3,3-trifluoropropyl)oxolane-3-carboxamide
SMILESNC1(C(=O)NCCC(F)(F)F)CCOC1
InChIInChI=1S/C8H13F3N2O2/c9-8(10,11)1-3-13-6(14)7(12)2-4-15-5-7/h1-5,12H2,(H,13,14)
InChIKeySHPXKZJQBBBNHV-UHFFFAOYSA-N
MW226.20 g/mol
LogP0.17
Rot. Bonds3

About 3-amino-N-(3,3,3-trifluoropropyl)oxolane-3-carboxamide

3-amino-N-(3,3,3-trifluoropropyl)oxolane-3-carboxamide (PubChem CID 64892203) has the molecular formula C8H13F3N2O2 and a molecular weight of 226.20 g/mol. Its IUPAC name is 3-amino-N-(3,3,3-trifluoropropyl)oxolane-3-carboxamide.

Molecular Properties

Compound Name3-amino-N-(3,3,3-trifluoropropyl)oxolane-3-carboxamide
PubChem CID64892203
Molecular FormulaC8H13F3N2O2
Molecular Weight226.20 g/mol
Exact Mass226.09
IUPAC Name3-amino-N-(3,3,3-trifluoropropyl)oxolane-3-carboxamide
SMILESNC1(C(=O)NCCC(F)(F)F)CCOC1
InChIInChI=1S/C8H13F3N2O2/c9-8(10,11)1-3-13-6(14)7(12)2-4-15-5-7/h1-5,12H2,(H,13,14)
InChIKeySHPXKZJQBBBNHV-UHFFFAOYSA-N
XLogP0.17
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 ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3,3,3-trifluoropropyl)oxolane-3-carboxamide?
The IUPAC name of 3-amino-N-(3,3,3-trifluoropropyl)oxolane-3-carboxamide (CID 64892203) is 3-amino-N-(3,3,3-trifluoropropyl)oxolane-3-carboxamide.
What is the SMILES notation for 3-amino-N-(3,3,3-trifluoropropyl)oxolane-3-carboxamide?
The canonical SMILES for 3-amino-N-(3,3,3-trifluoropropyl)oxolane-3-carboxamide is NC1(C(=O)NCCC(F)(F)F)CCOC1.
What is the InChIKey of 3-amino-N-(3,3,3-trifluoropropyl)oxolane-3-carboxamide?
The InChIKey is SHPXKZJQBBBNHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O2/c9-8(10,11)1-3-13-6(14)7(12)2-4-15-5-7/h1-5,12H2,(H,13,14).
What are the key properties of 3-amino-N-(3,3,3-trifluoropropyl)oxolane-3-carboxamide?
3-amino-N-(3,3,3-trifluoropropyl)oxolane-3-carboxamide has a molecular weight of 226.20 g/mol, XLogP of 0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3,3,3-trifluoropropyl)oxolane-3-carboxamide is sourced from PubChem (CID 64892203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).