2-[(3-methylpyrrolidin-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide

C9H16F3N3O — CID 107424383

IUPAC2-[(3-methylpyrrolidin-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC1(NCC(=O)NCC(F)(F)F)CCNC1
InChIInChI=1S/C9H16F3N3O/c1-8(2-3-13-5-8)15-4-7(16)14-6-9(10,11)12/h13,15H,2-6H2,1H3,(H,14,16)
InChIKeyUPLLDIDPQBNQKM-UHFFFAOYSA-N
MW239.24 g/mol
LogP0.01
Rot. Bonds4

About 2-[(3-methylpyrrolidin-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide

2-[(3-methylpyrrolidin-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 107424383) has the molecular formula C9H16F3N3O and a molecular weight of 239.24 g/mol. Its IUPAC name is 2-[(3-methylpyrrolidin-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[(3-methylpyrrolidin-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID107424383
Molecular FormulaC9H16F3N3O
Molecular Weight239.24 g/mol
Exact Mass239.12
IUPAC Name2-[(3-methylpyrrolidin-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC1(NCC(=O)NCC(F)(F)F)CCNC1
InChIInChI=1S/C9H16F3N3O/c1-8(2-3-13-5-8)15-4-7(16)14-6-9(10,11)12/h13,15H,2-6H2,1H3,(H,14,16)
InChIKeyUPLLDIDPQBNQKM-UHFFFAOYSA-N
XLogP0.01
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylpyrrolidin-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[(3-methylpyrrolidin-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide (CID 107424383) is 2-[(3-methylpyrrolidin-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[(3-methylpyrrolidin-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[(3-methylpyrrolidin-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide is CC1(NCC(=O)NCC(F)(F)F)CCNC1.
What is the InChIKey of 2-[(3-methylpyrrolidin-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is UPLLDIDPQBNQKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3N3O/c1-8(2-3-13-5-8)15-4-7(16)14-6-9(10,11)12/h13,15H,2-6H2,1H3,(H,14,16).
What are the key properties of 2-[(3-methylpyrrolidin-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
2-[(3-methylpyrrolidin-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 239.24 g/mol, XLogP of 0.01, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylpyrrolidin-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 107424383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).