(3-fluoro-3-methylpyrrolidin-1-yl)-(oxetan-3-yl)methanone

C9H14FNO2 — CID 127013160

IUPAC(3-fluoro-3-methylpyrrolidin-1-yl)-(oxetan-3-yl)methanone
SMILESCC1(F)CCN(C(=O)C2COC2)C1
InChIInChI=1S/C9H14FNO2/c1-9(10)2-3-11(6-9)8(12)7-4-13-5-7/h7H,2-6H2,1H3
InChIKeyPRZIHESMXQXYRG-UHFFFAOYSA-N
MW187.21 g/mol
LogP0.59
Rot. Bonds1

About (3-fluoro-3-methylpyrrolidin-1-yl)-(oxetan-3-yl)methanone

(3-fluoro-3-methylpyrrolidin-1-yl)-(oxetan-3-yl)methanone (PubChem CID 127013160) has the molecular formula C9H14FNO2 and a molecular weight of 187.21 g/mol. Its IUPAC name is (3-fluoro-3-methylpyrrolidin-1-yl)-(oxetan-3-yl)methanone.

Molecular Properties

Compound Name(3-fluoro-3-methylpyrrolidin-1-yl)-(oxetan-3-yl)methanone
PubChem CID127013160
Molecular FormulaC9H14FNO2
Molecular Weight187.21 g/mol
Exact Mass187.10
IUPAC Name(3-fluoro-3-methylpyrrolidin-1-yl)-(oxetan-3-yl)methanone
SMILESCC1(F)CCN(C(=O)C2COC2)C1
InChIInChI=1S/C9H14FNO2/c1-9(10)2-3-11(6-9)8(12)7-4-13-5-7/h7H,2-6H2,1H3
InChIKeyPRZIHESMXQXYRG-UHFFFAOYSA-N
XLogP0.59
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.21
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3,3-dimethylpyrrolidin-1-yl)-[(3S)-oxolan-3-yl]methanone;ethane
CID 144942244
ethane;1-(3-fluoro-3-methylpyrrolidin-1-yl)ethanone
CID 144575237
cyclobutyl-(3-fluoro-3-methylazetidin-1-yl)methanone
CID 130890914
(3,3-dimethylpyrrolidin-1-yl)-(1-methylazetidin-3-yl)methanone;ethane
CID 144942313
1-(3-fluoro-3-methylpyrrolidin-1-yl)pent-4-yn-1-one
CID 130638343
1-(cyclobutanecarbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63143159
cyclobutyl-[(4S)-4-hydroxy-3,3,4-trimethylpiperidin-1-yl]methanone
CID 72861703
cyclopropyl-(3-cyclopropyl-3-hydroxypyrrolidin-1-yl)methanone
CID 165447364
(3,3-difluorocyclopentyl)-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)methanone
CID 131008066
1-[2-(3,3-difluorocyclobutanecarbonyl)-2,7-diazaspiro[3.4]octan-7-yl]-2-methylpropan-1-one
CID 131684089
(3,3-difluorocyclobutyl)-[(3S,5S)-3-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97419661
1-(cyclohexanecarbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 55166325

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-3-methylpyrrolidin-1-yl)-(oxetan-3-yl)methanone?
The IUPAC name of (3-fluoro-3-methylpyrrolidin-1-yl)-(oxetan-3-yl)methanone (CID 127013160) is (3-fluoro-3-methylpyrrolidin-1-yl)-(oxetan-3-yl)methanone.
What is the SMILES notation for (3-fluoro-3-methylpyrrolidin-1-yl)-(oxetan-3-yl)methanone?
The canonical SMILES for (3-fluoro-3-methylpyrrolidin-1-yl)-(oxetan-3-yl)methanone is CC1(F)CCN(C(=O)C2COC2)C1.
What is the InChIKey of (3-fluoro-3-methylpyrrolidin-1-yl)-(oxetan-3-yl)methanone?
The InChIKey is PRZIHESMXQXYRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FNO2/c1-9(10)2-3-11(6-9)8(12)7-4-13-5-7/h7H,2-6H2,1H3.
What are the key properties of (3-fluoro-3-methylpyrrolidin-1-yl)-(oxetan-3-yl)methanone?
(3-fluoro-3-methylpyrrolidin-1-yl)-(oxetan-3-yl)methanone has a molecular weight of 187.21 g/mol, XLogP of 0.59, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-3-methylpyrrolidin-1-yl)-(oxetan-3-yl)methanone is sourced from PubChem (CID 127013160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).