2-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-4-one

C11H12F3NO — CID 83207006

IUPAC2-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-4-one
SMILESO=C1CCCCc2cn(CC(F)(F)F)cc21
InChIInChI=1S/C11H12F3NO/c12-11(13,14)7-15-5-8-3-1-2-4-10(16)9(8)6-15/h5-6H,1-4,7H2
InChIKeySNJWGTWWHVXMHO-UHFFFAOYSA-N
MW231.22 g/mol
LogP2.96
Rot. Bonds1

About 2-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-4-one

2-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-4-one (PubChem CID 83207006) has the molecular formula C11H12F3NO and a molecular weight of 231.22 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-4-one.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-4-one
PubChem CID83207006
Molecular FormulaC11H12F3NO
Molecular Weight231.22 g/mol
Exact Mass231.09
IUPAC Name2-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-4-one
SMILESO=C1CCCCc2cn(CC(F)(F)F)cc21
InChIInChI=1S/C11H12F3NO/c12-11(13,14)7-15-5-8-3-1-2-4-10(16)9(8)6-15/h5-6H,1-4,7H2
InChIKeySNJWGTWWHVXMHO-UHFFFAOYSA-N
XLogP2.96
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-4-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 2-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-4-one?
The IUPAC name of 2-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-4-one (CID 83207006) is 2-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-4-one.
What is the SMILES notation for 2-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-4-one?
The canonical SMILES for 2-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-4-one is O=C1CCCCc2cn(CC(F)(F)F)cc21.
What is the InChIKey of 2-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-4-one?
The InChIKey is SNJWGTWWHVXMHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO/c12-11(13,14)7-15-5-8-3-1-2-4-10(16)9(8)6-15/h5-6H,1-4,7H2.
What are the key properties of 2-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-4-one?
2-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-4-one has a molecular weight of 231.22 g/mol, XLogP of 2.96, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-4-one is sourced from PubChem (CID 83207006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).