3-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide

C8H13F3N2O — CID 63138735

IUPAC3-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESCC1(C(=O)NCC(F)(F)F)CCNC1
InChIInChI=1S/C8H13F3N2O/c1-7(2-3-12-4-7)6(14)13-5-8(9,10)11/h12H,2-5H2,1H3,(H,13,14)
InChIKeyXAIHTVPKCJJGRV-UHFFFAOYSA-N
MW210.20 g/mol
LogP0.66
Rot. Bonds2

About 3-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide

3-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (PubChem CID 63138735) has the molecular formula C8H13F3N2O and a molecular weight of 210.20 g/mol. Its IUPAC name is 3-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
PubChem CID63138735
Molecular FormulaC8H13F3N2O
Molecular Weight210.20 g/mol
Exact Mass210.10
IUPAC Name3-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESCC1(C(=O)NCC(F)(F)F)CCNC1
InChIInChI=1S/C8H13F3N2O/c1-7(2-3-12-4-7)6(14)13-5-8(9,10)11/h12H,2-5H2,1H3,(H,13,14)
InChIKeyXAIHTVPKCJJGRV-UHFFFAOYSA-N
XLogP0.66
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.20
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The IUPAC name of 3-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (CID 63138735) is 3-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 3-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 3-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide is CC1(C(=O)NCC(F)(F)F)CCNC1.
What is the InChIKey of 3-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The InChIKey is XAIHTVPKCJJGRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O/c1-7(2-3-12-4-7)6(14)13-5-8(9,10)11/h12H,2-5H2,1H3,(H,13,14).
What are the key properties of 3-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
3-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide has a molecular weight of 210.20 g/mol, XLogP of 0.66, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 63138735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).