1-(3-fluoro-3-methylpyrrolidin-1-yl)-2-methoxypropan-1-one

C9H16FNO2 — CID 131175830

IUPAC1-(3-fluoro-3-methylpyrrolidin-1-yl)-2-methoxypropan-1-one
SMILESCOC(C)C(=O)N1CCC(C)(F)C1
InChIInChI=1S/C9H16FNO2/c1-7(13-3)8(12)11-5-4-9(2,10)6-11/h7H,4-6H2,1-3H3
InChIKeyCMYZOVIOLIGZNF-UHFFFAOYSA-N
MW189.23 g/mol
LogP0.98
Rot. Bonds2

About 1-(3-fluoro-3-methylpyrrolidin-1-yl)-2-methoxypropan-1-one

1-(3-fluoro-3-methylpyrrolidin-1-yl)-2-methoxypropan-1-one (PubChem CID 131175830) has the molecular formula C9H16FNO2 and a molecular weight of 189.23 g/mol. Its IUPAC name is 1-(3-fluoro-3-methylpyrrolidin-1-yl)-2-methoxypropan-1-one.

Molecular Properties

Compound Name1-(3-fluoro-3-methylpyrrolidin-1-yl)-2-methoxypropan-1-one
PubChem CID131175830
Molecular FormulaC9H16FNO2
Molecular Weight189.23 g/mol
Exact Mass189.12
IUPAC Name1-(3-fluoro-3-methylpyrrolidin-1-yl)-2-methoxypropan-1-one
SMILESCOC(C)C(=O)N1CCC(C)(F)C1
InChIInChI=1S/C9H16FNO2/c1-7(13-3)8(12)11-5-4-9(2,10)6-11/h7H,4-6H2,1-3H3
InChIKeyCMYZOVIOLIGZNF-UHFFFAOYSA-N
XLogP0.98
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.23
LogP ≤ 50.98
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
2-(2-Methylpropoxy)-1-pyrrolidin-1-ylpropan-1-one
CID 47030865
1-[(4R)-3-fluoro-4-methoxypyrrolidin-1-yl]-2,2-dimethylpropan-1-one
CID 58790026
1-[(4R)-3-fluoro-4-methoxypyrrolidin-1-yl]propan-1-one
CID 89231844
1-[3-(1-Fluoroethoxy)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
CID 134271508
1-[3-(Difluoromethoxy)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
CID 134271523
(2S)-1-pyrrolidin-1-yl-2-(2,2,2-trifluoroethoxy)propan-1-one
CID 51943618
(2R)-1-pyrrolidin-1-yl-2-(2,2,2-trifluoroethoxy)propan-1-one
CID 51943619
N-butyl-2-ethoxy-N-(2,2,2-trifluoroethyl)propanamide
CID 78884273
1-[3,3-Bis(trifluoromethyl)pyrrolidin-1-yl]-2-(2-methoxyethoxy)propan-1-one
CID 86965876
N-butyl-N-methyl-2-(2,2,2-trifluoroethoxy)propanamide
CID 86986043
N-butyl-2-methoxy-N-(2,2,2-trifluoroethyl)propanamide
CID 112685848

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-3-methylpyrrolidin-1-yl)-2-methoxypropan-1-one?
The IUPAC name of 1-(3-fluoro-3-methylpyrrolidin-1-yl)-2-methoxypropan-1-one (CID 131175830) is 1-(3-fluoro-3-methylpyrrolidin-1-yl)-2-methoxypropan-1-one.
What is the SMILES notation for 1-(3-fluoro-3-methylpyrrolidin-1-yl)-2-methoxypropan-1-one?
The canonical SMILES for 1-(3-fluoro-3-methylpyrrolidin-1-yl)-2-methoxypropan-1-one is COC(C)C(=O)N1CCC(C)(F)C1.
What is the InChIKey of 1-(3-fluoro-3-methylpyrrolidin-1-yl)-2-methoxypropan-1-one?
The InChIKey is CMYZOVIOLIGZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO2/c1-7(13-3)8(12)11-5-4-9(2,10)6-11/h7H,4-6H2,1-3H3.
What are the key properties of 1-(3-fluoro-3-methylpyrrolidin-1-yl)-2-methoxypropan-1-one?
1-(3-fluoro-3-methylpyrrolidin-1-yl)-2-methoxypropan-1-one has a molecular weight of 189.23 g/mol, XLogP of 0.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-3-methylpyrrolidin-1-yl)-2-methoxypropan-1-one is sourced from PubChem (CID 131175830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).