1-[3-(3,3-difluoropyrrolidin-1-yl)propyl]-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one;ethane

C18H27F5N2O — CID 164559969

IUPAC1-[3-(3,3-difluoropyrrolidin-1-yl)propyl]-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one;ethane
SMILESCC.CC(C)c1cc(C(F)(F)F)cn(CCCN2CCC(F)(F)C2)c1=O
InChIInChI=1S/C16H21F5N2O.C2H6/c1-11(2)13-8-12(16(19,20)21)9-23(14(13)24)6-3-5-22-7-4-15(17,18)10-22;1-2/h8-9,11H,3-7,10H2,1-2H3;1-2H3
InChIKeyJZHOISZKARNOGW-UHFFFAOYSA-N
MW382.42 g/mol
LogP4.75
Rot. Bonds5

About 1-[3-(3,3-difluoropyrrolidin-1-yl)propyl]-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one;ethane

1-[3-(3,3-difluoropyrrolidin-1-yl)propyl]-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one;ethane (PubChem CID 164559969) has the molecular formula C18H27F5N2O and a molecular weight of 382.42 g/mol. Its IUPAC name is 1-[3-(3,3-difluoropyrrolidin-1-yl)propyl]-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one;ethane.

Molecular Properties

Compound Name1-[3-(3,3-difluoropyrrolidin-1-yl)propyl]-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one;ethane
PubChem CID164559969
Molecular FormulaC18H27F5N2O
Molecular Weight382.42 g/mol
Exact Mass382.20
IUPAC Name1-[3-(3,3-difluoropyrrolidin-1-yl)propyl]-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one;ethane
SMILESCC.CC(C)c1cc(C(F)(F)F)cn(CCCN2CCC(F)(F)C2)c1=O
InChIInChI=1S/C16H21F5N2O.C2H6/c1-11(2)13-8-12(16(19,20)21)9-23(14(13)24)6-3-5-22-7-4-15(17,18)10-22;1-2/h8-9,11H,3-7,10H2,1-2H3;1-2H3
InChIKeyJZHOISZKARNOGW-UHFFFAOYSA-N
XLogP4.75
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[3-(3,3-difluoropyrrolidin-1-yl)propyl]-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one;ethane 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 1-[3-(3,3-difluoropyrrolidin-1-yl)propyl]-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one;ethane?
The IUPAC name of 1-[3-(3,3-difluoropyrrolidin-1-yl)propyl]-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one;ethane (CID 164559969) is 1-[3-(3,3-difluoropyrrolidin-1-yl)propyl]-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one;ethane.
What is the SMILES notation for 1-[3-(3,3-difluoropyrrolidin-1-yl)propyl]-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one;ethane?
The canonical SMILES for 1-[3-(3,3-difluoropyrrolidin-1-yl)propyl]-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one;ethane is CC.CC(C)c1cc(C(F)(F)F)cn(CCCN2CCC(F)(F)C2)c1=O.
What is the InChIKey of 1-[3-(3,3-difluoropyrrolidin-1-yl)propyl]-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one;ethane?
The InChIKey is JZHOISZKARNOGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F5N2O.C2H6/c1-11(2)13-8-12(16(19,20)21)9-23(14(13)24)6-3-5-22-7-4-15(17,18)10-22;1-2/h8-9,11H,3-7,10H2,1-2H3;1-2H3.
What are the key properties of 1-[3-(3,3-difluoropyrrolidin-1-yl)propyl]-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one;ethane?
1-[3-(3,3-difluoropyrrolidin-1-yl)propyl]-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one;ethane has a molecular weight of 382.42 g/mol, XLogP of 4.75, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,3-difluoropyrrolidin-1-yl)propyl]-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one;ethane is sourced from PubChem (CID 164559969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).