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

C9H15F3N2O2 — CID 66263616

IUPAC4-amino-3-methyl-N-(3,3,3-trifluoropropyl)oxolane-3-carboxamide
SMILESCC1(C(=O)NCCC(F)(F)F)COCC1N
InChIInChI=1S/C9H15F3N2O2/c1-8(5-16-4-6(8)13)7(15)14-3-2-9(10,11)12/h6H,2-5,13H2,1H3,(H,14,15)
InChIKeyZDEJLIYUCSMQIB-UHFFFAOYSA-N
MW240.22 g/mol
LogP0.42
Rot. Bonds3

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

4-amino-3-methyl-N-(3,3,3-trifluoropropyl)oxolane-3-carboxamide (PubChem CID 66263616) has the molecular formula C9H15F3N2O2 and a molecular weight of 240.22 g/mol. Its IUPAC name is 4-amino-3-methyl-N-(3,3,3-trifluoropropyl)oxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-3-methyl-N-(3,3,3-trifluoropropyl)oxolane-3-carboxamide
PubChem CID66263616
Molecular FormulaC9H15F3N2O2
Molecular Weight240.22 g/mol
Exact Mass240.11
IUPAC Name4-amino-3-methyl-N-(3,3,3-trifluoropropyl)oxolane-3-carboxamide
SMILESCC1(C(=O)NCCC(F)(F)F)COCC1N
InChIInChI=1S/C9H15F3N2O2/c1-8(5-16-4-6(8)13)7(15)14-3-2-9(10,11)12/h6H,2-5,13H2,1H3,(H,14,15)
InChIKeyZDEJLIYUCSMQIB-UHFFFAOYSA-N
XLogP0.42
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methyl-N-(3,3,3-trifluoropropyl)oxolane-3-carboxamide?
The IUPAC name of 4-amino-3-methyl-N-(3,3,3-trifluoropropyl)oxolane-3-carboxamide (CID 66263616) is 4-amino-3-methyl-N-(3,3,3-trifluoropropyl)oxolane-3-carboxamide.
What is the SMILES notation for 4-amino-3-methyl-N-(3,3,3-trifluoropropyl)oxolane-3-carboxamide?
The canonical SMILES for 4-amino-3-methyl-N-(3,3,3-trifluoropropyl)oxolane-3-carboxamide is CC1(C(=O)NCCC(F)(F)F)COCC1N.
What is the InChIKey of 4-amino-3-methyl-N-(3,3,3-trifluoropropyl)oxolane-3-carboxamide?
The InChIKey is ZDEJLIYUCSMQIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O2/c1-8(5-16-4-6(8)13)7(15)14-3-2-9(10,11)12/h6H,2-5,13H2,1H3,(H,14,15).
What are the key properties of 4-amino-3-methyl-N-(3,3,3-trifluoropropyl)oxolane-3-carboxamide?
4-amino-3-methyl-N-(3,3,3-trifluoropropyl)oxolane-3-carboxamide has a molecular weight of 240.22 g/mol, XLogP of 0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methyl-N-(3,3,3-trifluoropropyl)oxolane-3-carboxamide is sourced from PubChem (CID 66263616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).