1-(3,3-difluoropyrrolidin-1-yl)-2-methoxypropan-1-one

C8H13F2NO2 — CID 131154061

IUPAC1-(3,3-difluoropyrrolidin-1-yl)-2-methoxypropan-1-one
SMILESCOC(C)C(=O)N1CCC(F)(F)C1
InChIInChI=1S/C8H13F2NO2/c1-6(13-2)7(12)11-4-3-8(9,10)5-11/h6H,3-5H2,1-2H3
InChIKeyYQZXDXMSWBAQTO-UHFFFAOYSA-N
MW193.19 g/mol
LogP0.89
Rot. Bonds2

About 1-(3,3-difluoropyrrolidin-1-yl)-2-methoxypropan-1-one

1-(3,3-difluoropyrrolidin-1-yl)-2-methoxypropan-1-one (PubChem CID 131154061) has the molecular formula C8H13F2NO2 and a molecular weight of 193.19 g/mol. Its IUPAC name is 1-(3,3-difluoropyrrolidin-1-yl)-2-methoxypropan-1-one.

Molecular Properties

Compound Name1-(3,3-difluoropyrrolidin-1-yl)-2-methoxypropan-1-one
PubChem CID131154061
Molecular FormulaC8H13F2NO2
Molecular Weight193.19 g/mol
Exact Mass193.09
IUPAC Name1-(3,3-difluoropyrrolidin-1-yl)-2-methoxypropan-1-one
SMILESCOC(C)C(=O)N1CCC(F)(F)C1
InChIInChI=1S/C8H13F2NO2/c1-6(13-2)7(12)11-4-3-8(9,10)5-11/h6H,3-5H2,1-2H3
InChIKeyYQZXDXMSWBAQTO-UHFFFAOYSA-N
XLogP0.89
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.19
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Pyrrolidin-1-yl-2-(2,2,2-trifluoroethoxy)propan-1-one
CID 45887329
1-Morpholin-4-yl-2-(2,2,2-trifluoroethoxy)propan-1-one
CID 45887346
2-(2-Methylpropoxy)-1-pyrrolidin-1-ylpropan-1-one
CID 47030865
2-methoxy-N-methyl-N-[1-(2,2,2-trifluoroethoxy)propyl]propanamide
CID 10801125
2,2,2-trifluoro-1-[(3S)-3-propan-2-yloxypyrrolidin-1-yl]ethanone
CID 89059468
1-[(4R)-3-fluoro-4-methoxypyrrolidin-1-yl]propan-1-one
CID 89231844
4,4,4-trifluoro-2-methoxy-N-propan-2-yl-N-(2,2,2-trifluoroethyl)butanamide
CID 117902998
1-[(4R)-3,3-difluoro-4-methoxypyrrolidin-1-yl]-2-hydroxyethanone
CID 121246744
1-[(4S)-4-ethoxy-3,3-difluoropyrrolidin-1-yl]-2-hydroxyethanone
CID 121246747
1-(3,3-Difluoro-4-methoxypyrrolidin-1-yl)-2-hydroxyethanone
CID 121246945
(2S)-1-(3,3-difluoro-4-methoxypyrrolidin-1-yl)-2-hydroxypropan-1-one
CID 121246950
2,2-difluoro-1-[(3S)-3-methoxypyrrolidin-1-yl]ethanone
CID 121246962

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluoropyrrolidin-1-yl)-2-methoxypropan-1-one?
The IUPAC name of 1-(3,3-difluoropyrrolidin-1-yl)-2-methoxypropan-1-one (CID 131154061) is 1-(3,3-difluoropyrrolidin-1-yl)-2-methoxypropan-1-one.
What is the SMILES notation for 1-(3,3-difluoropyrrolidin-1-yl)-2-methoxypropan-1-one?
The canonical SMILES for 1-(3,3-difluoropyrrolidin-1-yl)-2-methoxypropan-1-one is COC(C)C(=O)N1CCC(F)(F)C1.
What is the InChIKey of 1-(3,3-difluoropyrrolidin-1-yl)-2-methoxypropan-1-one?
The InChIKey is YQZXDXMSWBAQTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO2/c1-6(13-2)7(12)11-4-3-8(9,10)5-11/h6H,3-5H2,1-2H3.
What are the key properties of 1-(3,3-difluoropyrrolidin-1-yl)-2-methoxypropan-1-one?
1-(3,3-difluoropyrrolidin-1-yl)-2-methoxypropan-1-one has a molecular weight of 193.19 g/mol, XLogP of 0.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluoropyrrolidin-1-yl)-2-methoxypropan-1-one is sourced from PubChem (CID 131154061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).