pyrrolidin-1-yl-[5-(2,2,2-trifluoroethoxymethyl)furan-2-yl]methanone

C12H14F3NO3 — CID 756940

IUPACpyrrolidin-1-yl-[5-(2,2,2-trifluoroethoxymethyl)furan-2-yl]methanone
SMILESO=C(c1ccc(COCC(F)(F)F)o1)N1CCCC1
InChIInChI=1S/C12H14F3NO3/c13-12(14,15)8-18-7-9-3-4-10(19-9)11(17)16-5-1-2-6-16/h3-4H,1-2,5-8H2
InChIKeyCDTSJIQEZPCSAH-UHFFFAOYSA-N
MW277.24 g/mol
LogP2.59
Rot. Bonds4

About pyrrolidin-1-yl-[5-(2,2,2-trifluoroethoxymethyl)furan-2-yl]methanone

pyrrolidin-1-yl-[5-(2,2,2-trifluoroethoxymethyl)furan-2-yl]methanone (PubChem CID 756940) has the molecular formula C12H14F3NO3 and a molecular weight of 277.24 g/mol. Its IUPAC name is pyrrolidin-1-yl-[5-(2,2,2-trifluoroethoxymethyl)furan-2-yl]methanone.

Molecular Properties

Compound Namepyrrolidin-1-yl-[5-(2,2,2-trifluoroethoxymethyl)furan-2-yl]methanone
PubChem CID756940
Molecular FormulaC12H14F3NO3
Molecular Weight277.24 g/mol
Exact Mass277.09
IUPAC Namepyrrolidin-1-yl-[5-(2,2,2-trifluoroethoxymethyl)furan-2-yl]methanone
SMILESO=C(c1ccc(COCC(F)(F)F)o1)N1CCCC1
InChIInChI=1S/C12H14F3NO3/c13-12(14,15)8-18-7-9-3-4-10(19-9)11(17)16-5-1-2-6-16/h3-4H,1-2,5-8H2
InChIKeyCDTSJIQEZPCSAH-UHFFFAOYSA-N
XLogP2.59
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.24
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of pyrrolidin-1-yl-[5-(2,2,2-trifluoroethoxymethyl)furan-2-yl]methanone?
The IUPAC name of pyrrolidin-1-yl-[5-(2,2,2-trifluoroethoxymethyl)furan-2-yl]methanone (CID 756940) is pyrrolidin-1-yl-[5-(2,2,2-trifluoroethoxymethyl)furan-2-yl]methanone.
What is the SMILES notation for pyrrolidin-1-yl-[5-(2,2,2-trifluoroethoxymethyl)furan-2-yl]methanone?
The canonical SMILES for pyrrolidin-1-yl-[5-(2,2,2-trifluoroethoxymethyl)furan-2-yl]methanone is O=C(c1ccc(COCC(F)(F)F)o1)N1CCCC1.
What is the InChIKey of pyrrolidin-1-yl-[5-(2,2,2-trifluoroethoxymethyl)furan-2-yl]methanone?
The InChIKey is CDTSJIQEZPCSAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO3/c13-12(14,15)8-18-7-9-3-4-10(19-9)11(17)16-5-1-2-6-16/h3-4H,1-2,5-8H2.
What are the key properties of pyrrolidin-1-yl-[5-(2,2,2-trifluoroethoxymethyl)furan-2-yl]methanone?
pyrrolidin-1-yl-[5-(2,2,2-trifluoroethoxymethyl)furan-2-yl]methanone has a molecular weight of 277.24 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-1-yl-[5-(2,2,2-trifluoroethoxymethyl)furan-2-yl]methanone is sourced from PubChem (CID 756940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).