pyrrolidin-3-yl-[2-(trifluoromethyl)phenyl]methanone

C12H12F3NO — CID 116568380

IUPACpyrrolidin-3-yl-[2-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccccc1C(F)(F)F)C1CCNC1
InChIInChI=1S/C12H12F3NO/c13-12(14,15)10-4-2-1-3-9(10)11(17)8-5-6-16-7-8/h1-4,8,16H,5-7H2
InChIKeyLENOGLAEFCPVPY-UHFFFAOYSA-N
MW243.23 g/mol
LogP2.50
Rot. Bonds2

About pyrrolidin-3-yl-[2-(trifluoromethyl)phenyl]methanone

pyrrolidin-3-yl-[2-(trifluoromethyl)phenyl]methanone (PubChem CID 116568380) has the molecular formula C12H12F3NO and a molecular weight of 243.23 g/mol. Its IUPAC name is pyrrolidin-3-yl-[2-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Namepyrrolidin-3-yl-[2-(trifluoromethyl)phenyl]methanone
PubChem CID116568380
Molecular FormulaC12H12F3NO
Molecular Weight243.23 g/mol
Exact Mass243.09
IUPAC Namepyrrolidin-3-yl-[2-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccccc1C(F)(F)F)C1CCNC1
InChIInChI=1S/C12H12F3NO/c13-12(14,15)10-4-2-1-3-9(10)11(17)8-5-6-16-7-8/h1-4,8,16H,5-7H2
InChIKeyLENOGLAEFCPVPY-UHFFFAOYSA-N
XLogP2.50
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.23
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cyclopropyl-[2-(trifluoromethyl)phenyl]methanone
CID 24724101
cyclobutyl-[2-(trifluoromethyl)phenyl]methanone
CID 24724140
(2-hydroxyphenyl)-pyrrolidin-3-ylmethanone
CID 90905389
2-pyrrolidin-3-yl-1-[2-(trifluoromethyl)phenyl]ethanone
CID 116583505
N-cycloheptyl-N-[(3R)-pyrrolidin-3-yl]-2-(trifluoromethyl)benzamide
CID 11631726
phenyl-[(3R)-pyrrolidin-3-yl]methanone
CID 86327261
9-thiabicyclo[3.3.1]nonan-3-yl-[2-(trifluoromethyl)phenyl]methanone
CID 171941524
pyrrolidin-3-yl(thiophen-2-yl)methanone
CID 68933269
7-bicyclo[4.1.0]heptanyl-[2-(trifluoromethyl)phenyl]methanone
CID 114971292
(5-chloro-2-fluorophenyl)-pyrrolidin-3-ylmethanone
CID 116916892
(2,6-dimethylpiperazin-1-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 59376260
2-[2-(pyrrolidine-3-carbonyl)phenyl]-1H-pyridin-4-one
CID 121229997

Frequently Asked Questions

What is the IUPAC name of pyrrolidin-3-yl-[2-(trifluoromethyl)phenyl]methanone?
The IUPAC name of pyrrolidin-3-yl-[2-(trifluoromethyl)phenyl]methanone (CID 116568380) is pyrrolidin-3-yl-[2-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for pyrrolidin-3-yl-[2-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for pyrrolidin-3-yl-[2-(trifluoromethyl)phenyl]methanone is O=C(c1ccccc1C(F)(F)F)C1CCNC1.
What is the InChIKey of pyrrolidin-3-yl-[2-(trifluoromethyl)phenyl]methanone?
The InChIKey is LENOGLAEFCPVPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3NO/c13-12(14,15)10-4-2-1-3-9(10)11(17)8-5-6-16-7-8/h1-4,8,16H,5-7H2.
What are the key properties of pyrrolidin-3-yl-[2-(trifluoromethyl)phenyl]methanone?
pyrrolidin-3-yl-[2-(trifluoromethyl)phenyl]methanone has a molecular weight of 243.23 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-3-yl-[2-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 116568380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).