5,5-dimethyl-1-[3-(trifluoromethyl)pyrrolidin-3-yl]hexan-1-one

C13H22F3NO — CID 114210732

IUPAC5,5-dimethyl-1-[3-(trifluoromethyl)pyrrolidin-3-yl]hexan-1-one
SMILESCC(C)(C)CCCC(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C13H22F3NO/c1-11(2,3)6-4-5-10(18)12(13(14,15)16)7-8-17-9-12/h17H,4-9H2,1-3H3
InChIKeyOTSSPOYJIXVNCZ-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.31
Rot. Bonds4

About 5,5-dimethyl-1-[3-(trifluoromethyl)pyrrolidin-3-yl]hexan-1-one

5,5-dimethyl-1-[3-(trifluoromethyl)pyrrolidin-3-yl]hexan-1-one (PubChem CID 114210732) has the molecular formula C13H22F3NO and a molecular weight of 265.32 g/mol. Its IUPAC name is 5,5-dimethyl-1-[3-(trifluoromethyl)pyrrolidin-3-yl]hexan-1-one.

Molecular Properties

Compound Name5,5-dimethyl-1-[3-(trifluoromethyl)pyrrolidin-3-yl]hexan-1-one
PubChem CID114210732
Molecular FormulaC13H22F3NO
Molecular Weight265.32 g/mol
Exact Mass265.17
IUPAC Name5,5-dimethyl-1-[3-(trifluoromethyl)pyrrolidin-3-yl]hexan-1-one
SMILESCC(C)(C)CCCC(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C13H22F3NO/c1-11(2,3)6-4-5-10(18)12(13(14,15)16)7-8-17-9-12/h17H,4-9H2,1-3H3
InChIKeyOTSSPOYJIXVNCZ-UHFFFAOYSA-N
XLogP3.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5,5-dimethyl-1-[3-(trifluoromethyl)pyrrolidin-3-yl]hexan-1-one 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)pyrrolidin-3-yl]hexan-1-one?
The IUPAC name of 5,5-dimethyl-1-[3-(trifluoromethyl)pyrrolidin-3-yl]hexan-1-one (CID 114210732) is 5,5-dimethyl-1-[3-(trifluoromethyl)pyrrolidin-3-yl]hexan-1-one.
What is the SMILES notation for 5,5-dimethyl-1-[3-(trifluoromethyl)pyrrolidin-3-yl]hexan-1-one?
The canonical SMILES for 5,5-dimethyl-1-[3-(trifluoromethyl)pyrrolidin-3-yl]hexan-1-one is CC(C)(C)CCCC(=O)C1(C(F)(F)F)CCNC1.
What is the InChIKey of 5,5-dimethyl-1-[3-(trifluoromethyl)pyrrolidin-3-yl]hexan-1-one?
The InChIKey is OTSSPOYJIXVNCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3NO/c1-11(2,3)6-4-5-10(18)12(13(14,15)16)7-8-17-9-12/h17H,4-9H2,1-3H3.
What are the key properties of 5,5-dimethyl-1-[3-(trifluoromethyl)pyrrolidin-3-yl]hexan-1-one?
5,5-dimethyl-1-[3-(trifluoromethyl)pyrrolidin-3-yl]hexan-1-one has a molecular weight of 265.32 g/mol, XLogP of 3.31, 4 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)pyrrolidin-3-yl]hexan-1-one is sourced from PubChem (CID 114210732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).