3-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-N,N-dimethylpropanamide

C10H17F3N2O2 — CID 113251760

IUPAC3-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCN1CCC(O)(C(F)(F)F)C1
InChIInChI=1S/C10H17F3N2O2/c1-14(2)8(16)3-5-15-6-4-9(17,7-15)10(11,12)13/h17H,3-7H2,1-2H3
InChIKeyFTLPDMMOKQSUTM-UHFFFAOYSA-N
MW254.25 g/mol
LogP0.46
Rot. Bonds3

About 3-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-N,N-dimethylpropanamide

3-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-N,N-dimethylpropanamide (PubChem CID 113251760) has the molecular formula C10H17F3N2O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is 3-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-N,N-dimethylpropanamide
PubChem CID113251760
Molecular FormulaC10H17F3N2O2
Molecular Weight254.25 g/mol
Exact Mass254.12
IUPAC Name3-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCN1CCC(O)(C(F)(F)F)C1
InChIInChI=1S/C10H17F3N2O2/c1-14(2)8(16)3-5-15-6-4-9(17,7-15)10(11,12)13/h17H,3-7H2,1-2H3
InChIKeyFTLPDMMOKQSUTM-UHFFFAOYSA-N
XLogP0.46
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-N,N-dimethylpropanamide?
The IUPAC name of 3-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-N,N-dimethylpropanamide (CID 113251760) is 3-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-N,N-dimethylpropanamide is CN(C)C(=O)CCN1CCC(O)(C(F)(F)F)C1.
What is the InChIKey of 3-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-N,N-dimethylpropanamide?
The InChIKey is FTLPDMMOKQSUTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O2/c1-14(2)8(16)3-5-15-6-4-9(17,7-15)10(11,12)13/h17H,3-7H2,1-2H3.
What are the key properties of 3-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-N,N-dimethylpropanamide?
3-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-N,N-dimethylpropanamide has a molecular weight of 254.25 g/mol, XLogP of 0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-N,N-dimethylpropanamide is sourced from PubChem (CID 113251760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).