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

C9H15F3N2O2 — CID 66235494

IUPAC4-amino-N-methyl-N-(3,3,3-trifluoropropyl)oxolane-3-carboxamide
SMILESCN(CCC(F)(F)F)C(=O)C1COCC1N
InChIInChI=1S/C9H15F3N2O2/c1-14(3-2-9(10,11)12)8(15)6-4-16-5-7(6)13/h6-7H,2-5,13H2,1H3
InChIKeyCRWKTJQQVUILFS-UHFFFAOYSA-N
MW240.22 g/mol
LogP0.37
Rot. Bonds3

About 4-amino-N-methyl-N-(3,3,3-trifluoropropyl)oxolane-3-carboxamide

4-amino-N-methyl-N-(3,3,3-trifluoropropyl)oxolane-3-carboxamide (PubChem CID 66235494) has the molecular formula C9H15F3N2O2 and a molecular weight of 240.22 g/mol. Its IUPAC name is 4-amino-N-methyl-N-(3,3,3-trifluoropropyl)oxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-methyl-N-(3,3,3-trifluoropropyl)oxolane-3-carboxamide
PubChem CID66235494
Molecular FormulaC9H15F3N2O2
Molecular Weight240.22 g/mol
Exact Mass240.11
IUPAC Name4-amino-N-methyl-N-(3,3,3-trifluoropropyl)oxolane-3-carboxamide
SMILESCN(CCC(F)(F)F)C(=O)C1COCC1N
InChIInChI=1S/C9H15F3N2O2/c1-14(3-2-9(10,11)12)8(15)6-4-16-5-7(6)13/h6-7H,2-5,13H2,1H3
InChIKeyCRWKTJQQVUILFS-UHFFFAOYSA-N
XLogP0.37
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-N-(3,3,3-trifluoropropyl)oxolane-3-carboxamide?
The IUPAC name of 4-amino-N-methyl-N-(3,3,3-trifluoropropyl)oxolane-3-carboxamide (CID 66235494) is 4-amino-N-methyl-N-(3,3,3-trifluoropropyl)oxolane-3-carboxamide.
What is the SMILES notation for 4-amino-N-methyl-N-(3,3,3-trifluoropropyl)oxolane-3-carboxamide?
The canonical SMILES for 4-amino-N-methyl-N-(3,3,3-trifluoropropyl)oxolane-3-carboxamide is CN(CCC(F)(F)F)C(=O)C1COCC1N.
What is the InChIKey of 4-amino-N-methyl-N-(3,3,3-trifluoropropyl)oxolane-3-carboxamide?
The InChIKey is CRWKTJQQVUILFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O2/c1-14(3-2-9(10,11)12)8(15)6-4-16-5-7(6)13/h6-7H,2-5,13H2,1H3.
What are the key properties of 4-amino-N-methyl-N-(3,3,3-trifluoropropyl)oxolane-3-carboxamide?
4-amino-N-methyl-N-(3,3,3-trifluoropropyl)oxolane-3-carboxamide has a molecular weight of 240.22 g/mol, XLogP of 0.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-N-(3,3,3-trifluoropropyl)oxolane-3-carboxamide is sourced from PubChem (CID 66235494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).