pyrrolidin-1-yl-[3-(trifluoromethyl)phenyl]methanone

C12H12F3NO — CID 1247284

IUPACpyrrolidin-1-yl-[3-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1cccc(C(F)(F)F)c1)N1CCCC1
InChIInChI=1S/C12H12F3NO/c13-12(14,15)10-5-3-4-9(8-10)11(17)16-6-1-2-7-16/h3-5,8H,1-2,6-7H2
InChIKeyWPZYHLRFUZLONC-UHFFFAOYSA-N
MW243.23 g/mol
LogP2.94
Rot. Bonds1

About pyrrolidin-1-yl-[3-(trifluoromethyl)phenyl]methanone

pyrrolidin-1-yl-[3-(trifluoromethyl)phenyl]methanone (PubChem CID 1247284) has the molecular formula C12H12F3NO and a molecular weight of 243.23 g/mol. Its IUPAC name is pyrrolidin-1-yl-[3-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Namepyrrolidin-1-yl-[3-(trifluoromethyl)phenyl]methanone
PubChem CID1247284
Molecular FormulaC12H12F3NO
Molecular Weight243.23 g/mol
Exact Mass243.09
IUPAC Namepyrrolidin-1-yl-[3-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1cccc(C(F)(F)F)c1)N1CCCC1
InChIInChI=1S/C12H12F3NO/c13-12(14,15)10-5-3-4-9(8-10)11(17)16-6-1-2-7-16/h3-5,8H,1-2,6-7H2
InChIKeyWPZYHLRFUZLONC-UHFFFAOYSA-N
XLogP2.94
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.23
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of pyrrolidin-1-yl-[3-(trifluoromethyl)phenyl]methanone?
The IUPAC name of pyrrolidin-1-yl-[3-(trifluoromethyl)phenyl]methanone (CID 1247284) is pyrrolidin-1-yl-[3-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for pyrrolidin-1-yl-[3-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for pyrrolidin-1-yl-[3-(trifluoromethyl)phenyl]methanone is O=C(c1cccc(C(F)(F)F)c1)N1CCCC1.
What is the InChIKey of pyrrolidin-1-yl-[3-(trifluoromethyl)phenyl]methanone?
The InChIKey is WPZYHLRFUZLONC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3NO/c13-12(14,15)10-5-3-4-9(8-10)11(17)16-6-1-2-7-16/h3-5,8H,1-2,6-7H2.
What are the key properties of pyrrolidin-1-yl-[3-(trifluoromethyl)phenyl]methanone?
pyrrolidin-1-yl-[3-(trifluoromethyl)phenyl]methanone has a molecular weight of 243.23 g/mol, XLogP of 2.94, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-1-yl-[3-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 1247284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).