N,N-dimethyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide

C8H13F3N2O — CID 63710914

IUPACN,N-dimethyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCN(C)C(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C8H13F3N2O/c1-13(2)6(14)7(8(9,10)11)3-4-12-5-7/h12H,3-5H2,1-2H3
InChIKeyWTYMVAYYGFITKB-UHFFFAOYSA-N
MW210.20 g/mol
LogP0.62
Rot. Bonds1

About N,N-dimethyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide

N,N-dimethyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 63710914) has the molecular formula C8H13F3N2O and a molecular weight of 210.20 g/mol. Its IUPAC name is N,N-dimethyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID63710914
Molecular FormulaC8H13F3N2O
Molecular Weight210.20 g/mol
Exact Mass210.10
IUPAC NameN,N-dimethyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCN(C)C(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C8H13F3N2O/c1-13(2)6(14)7(8(9,10)11)3-4-12-5-7/h12H,3-5H2,1-2H3
InChIKeyWTYMVAYYGFITKB-UHFFFAOYSA-N
XLogP0.62
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.20
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N,N-dimethyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 63710914) is N,N-dimethyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N,N-dimethyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N,N-dimethyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide is CN(C)C(=O)C1(C(F)(F)F)CCNC1.
What is the InChIKey of N,N-dimethyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is WTYMVAYYGFITKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O/c1-13(2)6(14)7(8(9,10)11)3-4-12-5-7/h12H,3-5H2,1-2H3.
What are the key properties of N,N-dimethyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
N,N-dimethyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 210.20 g/mol, XLogP of 0.62, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 63710914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).