5,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-ol

C13H16F3NO — CID 117017973

IUPAC5,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-ol
SMILESCC1(C)CC(O)CN1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H16F3NO/c1-12(2)7-11(18)8-17(12)10-5-3-4-9(6-10)13(14,15)16/h3-6,11,18H,7-8H2,1-2H3
InChIKeyWFTNFZWZXHQIDJ-UHFFFAOYSA-N
MW259.27 g/mol
LogP3.06
Rot. Bonds1

About 5,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-ol

5,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-ol (PubChem CID 117017973) has the molecular formula C13H16F3NO and a molecular weight of 259.27 g/mol. Its IUPAC name is 5,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name5,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-ol
PubChem CID117017973
Molecular FormulaC13H16F3NO
Molecular Weight259.27 g/mol
Exact Mass259.12
IUPAC Name5,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-ol
SMILESCC1(C)CC(O)CN1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H16F3NO/c1-12(2)7-11(18)8-17(12)10-5-3-4-9(6-10)13(14,15)16/h3-6,11,18H,7-8H2,1-2H3
InChIKeyWFTNFZWZXHQIDJ-UHFFFAOYSA-N
XLogP3.06
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-ol?
The IUPAC name of 5,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-ol (CID 117017973) is 5,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-ol.
What is the SMILES notation for 5,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-ol?
The canonical SMILES for 5,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-ol is CC1(C)CC(O)CN1c1cccc(C(F)(F)F)c1.
What is the InChIKey of 5,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-ol?
The InChIKey is WFTNFZWZXHQIDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO/c1-12(2)7-11(18)8-17(12)10-5-3-4-9(6-10)13(14,15)16/h3-6,11,18H,7-8H2,1-2H3.
What are the key properties of 5,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-ol?
5,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-ol has a molecular weight of 259.27 g/mol, XLogP of 3.06, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-ol is sourced from PubChem (CID 117017973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).