[2-(fluoromethyl)pyrrolidin-1-yl]-(3-methyloxetan-3-yl)methanone

C10H16FNO2 — CID 126768755

IUPAC[2-(fluoromethyl)pyrrolidin-1-yl]-(3-methyloxetan-3-yl)methanone
SMILESCC1(C(=O)N2CCCC2CF)COC1
InChIInChI=1S/C10H16FNO2/c1-10(6-14-7-10)9(13)12-4-2-3-8(12)5-11/h8H,2-7H2,1H3
InChIKeyNJSPHRWCTNFGNZ-UHFFFAOYSA-N
MW201.24 g/mol
LogP0.98
Rot. Bonds2

About [2-(fluoromethyl)pyrrolidin-1-yl]-(3-methyloxetan-3-yl)methanone

[2-(fluoromethyl)pyrrolidin-1-yl]-(3-methyloxetan-3-yl)methanone (PubChem CID 126768755) has the molecular formula C10H16FNO2 and a molecular weight of 201.24 g/mol. Its IUPAC name is [2-(fluoromethyl)pyrrolidin-1-yl]-(3-methyloxetan-3-yl)methanone.

Molecular Properties

Compound Name[2-(fluoromethyl)pyrrolidin-1-yl]-(3-methyloxetan-3-yl)methanone
PubChem CID126768755
Molecular FormulaC10H16FNO2
Molecular Weight201.24 g/mol
Exact Mass201.12
IUPAC Name[2-(fluoromethyl)pyrrolidin-1-yl]-(3-methyloxetan-3-yl)methanone
SMILESCC1(C(=O)N2CCCC2CF)COC1
InChIInChI=1S/C10H16FNO2/c1-10(6-14-7-10)9(13)12-4-2-3-8(12)5-11/h8H,2-7H2,1H3
InChIKeyNJSPHRWCTNFGNZ-UHFFFAOYSA-N
XLogP0.98
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.24
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(2R)-2-(fluoromethyl)pyrrolidin-1-yl]-morpholin-4-ylmethanone
CID 129348438
[2-(chloromethyl)piperidin-1-yl]-(1-methylcyclohexyl)methanone
CID 106828939
[2-(2-hydroxyethyl)pyrrolidin-1-yl]-(3-methylpiperidin-3-yl)methanone
CID 112748638
[2-(fluoromethyl)pyrrolidin-1-yl]-(5-methylfuran-3-yl)methanone
CID 126769437
trans-(1R,2R)-2-[(2S)-2-(fluoromethyl)pyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 166299518
[2-(methoxymethyl)pyrrolidin-1-yl]-(3-methyl-2H-furan-3-yl)methanone
CID 15269733
2-(1-acetylpyrrolidin-2-yl)acetamide
CID 127011222
[2-[2-(methylamino)ethyl]piperidin-1-yl]-(1-methylcyclohexyl)methanone
CID 106828027
methyl 2-[1-(1-methylcyclohexanecarbonyl)piperidin-2-yl]acetate
CID 106828161
[(2R)-2-(fluoromethyl)pyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 164631850
(4-aminooxan-4-yl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 107218110
1-[3-(1-methylpiperidin-3-yl)oxetan-3-yl]ethanone
CID 116873792

Frequently Asked Questions

What is the IUPAC name of [2-(fluoromethyl)pyrrolidin-1-yl]-(3-methyloxetan-3-yl)methanone?
The IUPAC name of [2-(fluoromethyl)pyrrolidin-1-yl]-(3-methyloxetan-3-yl)methanone (CID 126768755) is [2-(fluoromethyl)pyrrolidin-1-yl]-(3-methyloxetan-3-yl)methanone.
What is the SMILES notation for [2-(fluoromethyl)pyrrolidin-1-yl]-(3-methyloxetan-3-yl)methanone?
The canonical SMILES for [2-(fluoromethyl)pyrrolidin-1-yl]-(3-methyloxetan-3-yl)methanone is CC1(C(=O)N2CCCC2CF)COC1.
What is the InChIKey of [2-(fluoromethyl)pyrrolidin-1-yl]-(3-methyloxetan-3-yl)methanone?
The InChIKey is NJSPHRWCTNFGNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FNO2/c1-10(6-14-7-10)9(13)12-4-2-3-8(12)5-11/h8H,2-7H2,1H3.
What are the key properties of [2-(fluoromethyl)pyrrolidin-1-yl]-(3-methyloxetan-3-yl)methanone?
[2-(fluoromethyl)pyrrolidin-1-yl]-(3-methyloxetan-3-yl)methanone has a molecular weight of 201.24 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 [2-(fluoromethyl)pyrrolidin-1-yl]-(3-methyloxetan-3-yl)methanone is sourced from PubChem (CID 126768755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).