1-[3-(difluoromethoxy)pyrrolidin-1-yl]ethanone

C7H11F2NO2 — CID 131042064

IUPAC1-[3-(difluoromethoxy)pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCC(OC(F)F)C1
InChIInChI=1S/C7H11F2NO2/c1-5(11)10-3-2-6(4-10)12-7(8)9/h6-7H,2-4H2,1H3
InChIKeyTVYNFXBQKLIANP-UHFFFAOYSA-N
MW179.17 g/mol
LogP0.85
Rot. Bonds2

About 1-[3-(difluoromethoxy)pyrrolidin-1-yl]ethanone

1-[3-(difluoromethoxy)pyrrolidin-1-yl]ethanone (PubChem CID 131042064) has the molecular formula C7H11F2NO2 and a molecular weight of 179.17 g/mol. Its IUPAC name is 1-[3-(difluoromethoxy)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-(difluoromethoxy)pyrrolidin-1-yl]ethanone
PubChem CID131042064
Molecular FormulaC7H11F2NO2
Molecular Weight179.17 g/mol
Exact Mass179.08
IUPAC Name1-[3-(difluoromethoxy)pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCC(OC(F)F)C1
InChIInChI=1S/C7H11F2NO2/c1-5(11)10-3-2-6(4-10)12-7(8)9/h6-7H,2-4H2,1H3
InChIKeyTVYNFXBQKLIANP-UHFFFAOYSA-N
XLogP0.85
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.17
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(difluoromethoxy)pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[3-(difluoromethoxy)pyrrolidin-1-yl]ethanone (CID 131042064) is 1-[3-(difluoromethoxy)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-(difluoromethoxy)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[3-(difluoromethoxy)pyrrolidin-1-yl]ethanone is CC(=O)N1CCC(OC(F)F)C1.
What is the InChIKey of 1-[3-(difluoromethoxy)pyrrolidin-1-yl]ethanone?
The InChIKey is TVYNFXBQKLIANP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2NO2/c1-5(11)10-3-2-6(4-10)12-7(8)9/h6-7H,2-4H2,1H3.
What are the key properties of 1-[3-(difluoromethoxy)pyrrolidin-1-yl]ethanone?
1-[3-(difluoromethoxy)pyrrolidin-1-yl]ethanone has a molecular weight of 179.17 g/mol, XLogP of 0.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(difluoromethoxy)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 131042064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).