2-cyclopropyl-1-[3-(trifluoromethyl)pyrrolidin-3-yl]ethanone

C10H14F3NO — CID 116572946

IUPAC2-cyclopropyl-1-[3-(trifluoromethyl)pyrrolidin-3-yl]ethanone
SMILESO=C(CC1CC1)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C10H14F3NO/c11-10(12,13)9(3-4-14-6-9)8(15)5-7-1-2-7/h7,14H,1-6H2
InChIKeyCRRUXMAQCXTHPN-UHFFFAOYSA-N
MW221.22 g/mol
LogP1.90
Rot. Bonds3

About 2-cyclopropyl-1-[3-(trifluoromethyl)pyrrolidin-3-yl]ethanone

2-cyclopropyl-1-[3-(trifluoromethyl)pyrrolidin-3-yl]ethanone (PubChem CID 116572946) has the molecular formula C10H14F3NO and a molecular weight of 221.22 g/mol. Its IUPAC name is 2-cyclopropyl-1-[3-(trifluoromethyl)pyrrolidin-3-yl]ethanone.

Molecular Properties

Compound Name2-cyclopropyl-1-[3-(trifluoromethyl)pyrrolidin-3-yl]ethanone
PubChem CID116572946
Molecular FormulaC10H14F3NO
Molecular Weight221.22 g/mol
Exact Mass221.10
IUPAC Name2-cyclopropyl-1-[3-(trifluoromethyl)pyrrolidin-3-yl]ethanone
SMILESO=C(CC1CC1)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C10H14F3NO/c11-10(12,13)9(3-4-14-6-9)8(15)5-7-1-2-7/h7,14H,1-6H2
InChIKeyCRRUXMAQCXTHPN-UHFFFAOYSA-N
XLogP1.90
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-cyclopropyl-1-[3-(trifluoromethyl)pyrrolidin-3-yl]ethanone 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-cyclopropyl-1-[3-(trifluoromethyl)pyrrolidin-3-yl]ethanone?
The IUPAC name of 2-cyclopropyl-1-[3-(trifluoromethyl)pyrrolidin-3-yl]ethanone (CID 116572946) is 2-cyclopropyl-1-[3-(trifluoromethyl)pyrrolidin-3-yl]ethanone.
What is the SMILES notation for 2-cyclopropyl-1-[3-(trifluoromethyl)pyrrolidin-3-yl]ethanone?
The canonical SMILES for 2-cyclopropyl-1-[3-(trifluoromethyl)pyrrolidin-3-yl]ethanone is O=C(CC1CC1)C1(C(F)(F)F)CCNC1.
What is the InChIKey of 2-cyclopropyl-1-[3-(trifluoromethyl)pyrrolidin-3-yl]ethanone?
The InChIKey is CRRUXMAQCXTHPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NO/c11-10(12,13)9(3-4-14-6-9)8(15)5-7-1-2-7/h7,14H,1-6H2.
What are the key properties of 2-cyclopropyl-1-[3-(trifluoromethyl)pyrrolidin-3-yl]ethanone?
2-cyclopropyl-1-[3-(trifluoromethyl)pyrrolidin-3-yl]ethanone has a molecular weight of 221.22 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-[3-(trifluoromethyl)pyrrolidin-3-yl]ethanone is sourced from PubChem (CID 116572946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).