(3,3-difluoropyrrolidin-1-yl)-(oxolan-3-yl)methanone

C9H13F2NO2 — CID 122269187

IUPAC(3,3-difluoropyrrolidin-1-yl)-(oxolan-3-yl)methanone
SMILESO=C(C1CCOC1)N1CCC(F)(F)C1
InChIInChI=1S/C9H13F2NO2/c10-9(11)2-3-12(6-9)8(13)7-1-4-14-5-7/h7H,1-6H2
InChIKeyJMGGXVOYXHDAGG-UHFFFAOYSA-N
MW205.20 g/mol
LogP0.89
Rot. Bonds1

About (3,3-difluoropyrrolidin-1-yl)-(oxolan-3-yl)methanone

(3,3-difluoropyrrolidin-1-yl)-(oxolan-3-yl)methanone (PubChem CID 122269187) has the molecular formula C9H13F2NO2 and a molecular weight of 205.20 g/mol. Its IUPAC name is (3,3-difluoropyrrolidin-1-yl)-(oxolan-3-yl)methanone.

Molecular Properties

Compound Name(3,3-difluoropyrrolidin-1-yl)-(oxolan-3-yl)methanone
PubChem CID122269187
Molecular FormulaC9H13F2NO2
Molecular Weight205.20 g/mol
Exact Mass205.09
IUPAC Name(3,3-difluoropyrrolidin-1-yl)-(oxolan-3-yl)methanone
SMILESO=C(C1CCOC1)N1CCC(F)(F)C1
InChIInChI=1S/C9H13F2NO2/c10-9(11)2-3-12(6-9)8(13)7-1-4-14-5-7/h7H,1-6H2
InChIKeyJMGGXVOYXHDAGG-UHFFFAOYSA-N
XLogP0.89
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.20
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3,3-difluoropyrrolidin-1-yl)-(oxolan-3-yl)methanone?
The IUPAC name of (3,3-difluoropyrrolidin-1-yl)-(oxolan-3-yl)methanone (CID 122269187) is (3,3-difluoropyrrolidin-1-yl)-(oxolan-3-yl)methanone.
What is the SMILES notation for (3,3-difluoropyrrolidin-1-yl)-(oxolan-3-yl)methanone?
The canonical SMILES for (3,3-difluoropyrrolidin-1-yl)-(oxolan-3-yl)methanone is O=C(C1CCOC1)N1CCC(F)(F)C1.
What is the InChIKey of (3,3-difluoropyrrolidin-1-yl)-(oxolan-3-yl)methanone?
The InChIKey is JMGGXVOYXHDAGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2NO2/c10-9(11)2-3-12(6-9)8(13)7-1-4-14-5-7/h7H,1-6H2.
What are the key properties of (3,3-difluoropyrrolidin-1-yl)-(oxolan-3-yl)methanone?
(3,3-difluoropyrrolidin-1-yl)-(oxolan-3-yl)methanone has a molecular weight of 205.20 g/mol, XLogP of 0.89, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluoropyrrolidin-1-yl)-(oxolan-3-yl)methanone is sourced from PubChem (CID 122269187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).