3,4-dihydro-2H-pyran-6-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone

C11H14F3NO2 — CID 102648359

IUPAC3,4-dihydro-2H-pyran-6-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
SMILESO=C(C1=CCCCO1)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C11H14F3NO2/c12-11(13,14)10(4-5-15-7-10)9(16)8-3-1-2-6-17-8/h3,15H,1-2,4-7H2
InChIKeyYUPIMTGWJBLVOB-UHFFFAOYSA-N
MW249.23 g/mol
LogP1.79
Rot. Bonds2

About 3,4-dihydro-2H-pyran-6-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone

3,4-dihydro-2H-pyran-6-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone (PubChem CID 102648359) has the molecular formula C11H14F3NO2 and a molecular weight of 249.23 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyran-6-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-pyran-6-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
PubChem CID102648359
Molecular FormulaC11H14F3NO2
Molecular Weight249.23 g/mol
Exact Mass249.10
IUPAC Name3,4-dihydro-2H-pyran-6-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
SMILESO=C(C1=CCCCO1)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C11H14F3NO2/c12-11(13,14)10(4-5-15-7-10)9(16)8-3-1-2-6-17-8/h3,15H,1-2,4-7H2
InChIKeyYUPIMTGWJBLVOB-UHFFFAOYSA-N
XLogP1.79
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-pyran-6-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone?
The IUPAC name of 3,4-dihydro-2H-pyran-6-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone (CID 102648359) is 3,4-dihydro-2H-pyran-6-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone.
What is the SMILES notation for 3,4-dihydro-2H-pyran-6-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone?
The canonical SMILES for 3,4-dihydro-2H-pyran-6-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone is O=C(C1=CCCCO1)C1(C(F)(F)F)CCNC1.
What is the InChIKey of 3,4-dihydro-2H-pyran-6-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone?
The InChIKey is YUPIMTGWJBLVOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO2/c12-11(13,14)10(4-5-15-7-10)9(16)8-3-1-2-6-17-8/h3,15H,1-2,4-7H2.
What are the key properties of 3,4-dihydro-2H-pyran-6-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone?
3,4-dihydro-2H-pyran-6-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone has a molecular weight of 249.23 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-pyran-6-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone is sourced from PubChem (CID 102648359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).