1-[3-(difluoromethoxy)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one

C10H17F2NO2 — CID 134271523

IUPAC1-[3-(difluoromethoxy)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCC(OC(F)F)C1
InChIInChI=1S/C10H17F2NO2/c1-10(2,3)8(14)13-5-4-7(6-13)15-9(11)12/h7,9H,4-6H2,1-3H3
InChIKeyJLAQCKLOTSRDQK-UHFFFAOYSA-N
MW221.25 g/mol
LogP1.87
Rot. Bonds2

About 1-[3-(difluoromethoxy)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one

1-[3-(difluoromethoxy)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one (PubChem CID 134271523) has the molecular formula C10H17F2NO2 and a molecular weight of 221.25 g/mol. Its IUPAC name is 1-[3-(difluoromethoxy)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[3-(difluoromethoxy)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
PubChem CID134271523
Molecular FormulaC10H17F2NO2
Molecular Weight221.25 g/mol
Exact Mass221.12
IUPAC Name1-[3-(difluoromethoxy)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCC(OC(F)F)C1
InChIInChI=1S/C10H17F2NO2/c1-10(2,3)8(14)13-5-4-7(6-13)15-9(11)12/h7,9H,4-6H2,1-3H3
InChIKeyJLAQCKLOTSRDQK-UHFFFAOYSA-N
XLogP1.87
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.25
LogP ≤ 51.87
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-[(4R)-3-fluoro-4-methoxypyrrolidin-1-yl]-2,2-dimethylpropan-1-one
CID 58790026
1-[(4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]-2,2-dimethylpropan-1-one
CID 58790231
3-Trifluoromethoxy-pyrrolidine-1-carboxylic acid tert-butyl ester
CID 75406341
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
(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
2,2-difluoro-1-[(3S)-3-propan-2-yloxypyrrolidin-1-yl]ethanone
CID 121261738
(2S)-1-(3,3-difluoro-4-propan-2-yloxypyrrolidin-1-yl)-2-hydroxypropan-1-one
CID 121261757
(R)-1-Boc-3-(difluoromethoxy)pyrrolidine
CID 122487530
tert-butyl (3S)-3-(difluoromethoxy)pyrrolidine-1-carboxylate
CID 122487535

Frequently Asked Questions

What is the IUPAC name of 1-[3-(difluoromethoxy)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[3-(difluoromethoxy)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one (CID 134271523) is 1-[3-(difluoromethoxy)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[3-(difluoromethoxy)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[3-(difluoromethoxy)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)N1CCC(OC(F)F)C1.
What is the InChIKey of 1-[3-(difluoromethoxy)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one?
The InChIKey is JLAQCKLOTSRDQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2NO2/c1-10(2,3)8(14)13-5-4-7(6-13)15-9(11)12/h7,9H,4-6H2,1-3H3.
What are the key properties of 1-[3-(difluoromethoxy)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one?
1-[3-(difluoromethoxy)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one has a molecular weight of 221.25 g/mol, XLogP of 1.87, 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]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 134271523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).