N-[(3S)-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butyl]pyrrolidine-1-carboxamide

C14H19F3N2O3 — CID 94021046

About N-[(3S)-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butyl]pyrrolidine-1-carboxamide

N-[(3S)-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butyl]pyrrolidine-1-carboxamide (PubChem CID 94021046) has the molecular formula C14H19F3N2O3 and a molecular weight of 320.31 g/mol. Its IUPAC name is N-[(3S)-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butyl]pyrrolidine-1-carboxamide.

Molecular Properties

• Compound Name: N-[(3S)-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butyl]pyrrolidine-1-carboxamide
• PubChem CID: 94021046
• Molecular Formula: C14H19F3N2O3
• Molecular Weight: 320.31 g/mol
• Exact Mass: 320.13
• IUPAC Name: N-[(3S)-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butyl]pyrrolidine-1-carboxamide
• SMILES: Cc1ccc([C@@](O)(CCNC(=O)N2CCCC2)C(F)(F)F)o1
• InChI: InChI=1S/C14H19F3N2O3/c1-10-4-5-11(22-10)13(21,14(15,16)17)6-7-18-12(20)19-8-2-3-9-19/h4-5,21H,2-3,6-9H2,1H3,(H,18,20)/t13-/m0/s1
• InChIKey: NTAZWRXANRTCIE-ZDUSSCGKSA-N
• XLogP: 2.53
• TPSA: 65.71 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	320.31
LogP ≤ 5	2.53
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butyl]pyrrolidine-1-carboxamide?

The IUPAC name of N-[(3S)-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butyl]pyrrolidine-1-carboxamide (CID 94021046) is N-[(3S)-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butyl]pyrrolidine-1-carboxamide.

What is the SMILES notation for N-[(3S)-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butyl]pyrrolidine-1-carboxamide?

The canonical SMILES for N-[(3S)-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butyl]pyrrolidine-1-carboxamide is Cc1ccc([C@@](O)(CCNC(=O)N2CCCC2)C(F)(F)F)o1.

What is the InChIKey of N-[(3S)-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butyl]pyrrolidine-1-carboxamide?

The InChIKey is NTAZWRXANRTCIE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H19F3N2O3/c1-10-4-5-11(22-10)13(21,14(15,16)17)6-7-18-12(20)19-8-2-3-9-19/h4-5,21H,2-3,6-9H2,1H3,(H,18,20)/t13-/m0/s1.

What are the key properties of N-[(3S)-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butyl]pyrrolidine-1-carboxamide?

N-[(3S)-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butyl]pyrrolidine-1-carboxamide has a molecular weight of 320.31 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3S)-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 94021046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).