4-(methylamino)-N-(3,3,3-trifluoropropyl)oxolane-3-carboxamide

C9H15F3N2O2 — CID 66265077

IUPAC4-(methylamino)-N-(3,3,3-trifluoropropyl)oxolane-3-carboxamide
SMILESCNC1COCC1C(=O)NCCC(F)(F)F
InChIInChI=1S/C9H15F3N2O2/c1-13-7-5-16-4-6(7)8(15)14-3-2-9(10,11)12/h6-7,13H,2-5H2,1H3,(H,14,15)
InChIKeyKMCQVEAKUDWORP-UHFFFAOYSA-N
MW240.22 g/mol
LogP0.29
Rot. Bonds4

About 4-(methylamino)-N-(3,3,3-trifluoropropyl)oxolane-3-carboxamide

4-(methylamino)-N-(3,3,3-trifluoropropyl)oxolane-3-carboxamide (PubChem CID 66265077) has the molecular formula C9H15F3N2O2 and a molecular weight of 240.22 g/mol. Its IUPAC name is 4-(methylamino)-N-(3,3,3-trifluoropropyl)oxolane-3-carboxamide.

Molecular Properties

Compound Name4-(methylamino)-N-(3,3,3-trifluoropropyl)oxolane-3-carboxamide
PubChem CID66265077
Molecular FormulaC9H15F3N2O2
Molecular Weight240.22 g/mol
Exact Mass240.11
IUPAC Name4-(methylamino)-N-(3,3,3-trifluoropropyl)oxolane-3-carboxamide
SMILESCNC1COCC1C(=O)NCCC(F)(F)F
InChIInChI=1S/C9H15F3N2O2/c1-13-7-5-16-4-6(7)8(15)14-3-2-9(10,11)12/h6-7,13H,2-5H2,1H3,(H,14,15)
InChIKeyKMCQVEAKUDWORP-UHFFFAOYSA-N
XLogP0.29
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-(3,3,3-trifluoropropyl)oxolane-3-carboxamide?
The IUPAC name of 4-(methylamino)-N-(3,3,3-trifluoropropyl)oxolane-3-carboxamide (CID 66265077) is 4-(methylamino)-N-(3,3,3-trifluoropropyl)oxolane-3-carboxamide.
What is the SMILES notation for 4-(methylamino)-N-(3,3,3-trifluoropropyl)oxolane-3-carboxamide?
The canonical SMILES for 4-(methylamino)-N-(3,3,3-trifluoropropyl)oxolane-3-carboxamide is CNC1COCC1C(=O)NCCC(F)(F)F.
What is the InChIKey of 4-(methylamino)-N-(3,3,3-trifluoropropyl)oxolane-3-carboxamide?
The InChIKey is KMCQVEAKUDWORP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O2/c1-13-7-5-16-4-6(7)8(15)14-3-2-9(10,11)12/h6-7,13H,2-5H2,1H3,(H,14,15).
What are the key properties of 4-(methylamino)-N-(3,3,3-trifluoropropyl)oxolane-3-carboxamide?
4-(methylamino)-N-(3,3,3-trifluoropropyl)oxolane-3-carboxamide has a molecular weight of 240.22 g/mol, XLogP of 0.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-(3,3,3-trifluoropropyl)oxolane-3-carboxamide is sourced from PubChem (CID 66265077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).