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

C13H15FN2O2 — CID 169211455

IUPAC[2-(fluoromethyl)pyrrolidin-1-yl]-(3-phenyloxaziridin-2-yl)methanone
SMILESO=C(N1CCCC1CF)N1OC1c1ccccc1
InChIInChI=1S/C13H15FN2O2/c14-9-11-7-4-8-15(11)13(17)16-12(18-16)10-5-2-1-3-6-10/h1-3,5-6,11-12H,4,7-9H2
InChIKeyUPJVHCVXLWZIGO-UHFFFAOYSA-N
MW250.27 g/mol
LogP2.49
Rot. Bonds2

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

[2-(fluoromethyl)pyrrolidin-1-yl]-(3-phenyloxaziridin-2-yl)methanone (PubChem CID 169211455) has the molecular formula C13H15FN2O2 and a molecular weight of 250.27 g/mol. Its IUPAC name is [2-(fluoromethyl)pyrrolidin-1-yl]-(3-phenyloxaziridin-2-yl)methanone.

Molecular Properties

Compound Name[2-(fluoromethyl)pyrrolidin-1-yl]-(3-phenyloxaziridin-2-yl)methanone
PubChem CID169211455
Molecular FormulaC13H15FN2O2
Molecular Weight250.27 g/mol
Exact Mass250.11
IUPAC Name[2-(fluoromethyl)pyrrolidin-1-yl]-(3-phenyloxaziridin-2-yl)methanone
SMILESO=C(N1CCCC1CF)N1OC1c1ccccc1
InChIInChI=1S/C13H15FN2O2/c14-9-11-7-4-8-15(11)13(17)16-12(18-16)10-5-2-1-3-6-10/h1-3,5-6,11-12H,4,7-9H2
InChIKeyUPJVHCVXLWZIGO-UHFFFAOYSA-N
XLogP2.49
TPSA35.85 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

[(2S)-2-(anilinomethyl)pyrrolidin-1-yl]-[(1R,4S)-2-oxa-3-azabicyclo[2.2.2]oct-5-en-3-yl]methanone
CID 638469
[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-(3-phenyloxaziridin-2-yl)methanone
CID 176801950
(4-phenoxypiperidin-1-yl)-(3-phenyloxaziridin-2-yl)methanone
CID 169211388
[(2R)-2-(fluoromethyl)pyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 164631850
[3-(oxolan-3-yl)azepan-1-yl]-(3-phenyloxaziridin-2-yl)methanone
CID 169211319
[2-(fluoromethyl)pyrrolidin-1-yl]-(5-methylfuran-3-yl)methanone
CID 126769437
[2-(aminomethyl)pyrrolidin-1-yl]-(2-phenylcyclopropyl)methanone
CID 81482768
trans-(1R,2R)-2-[(2S)-2-(fluoromethyl)pyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 166299518
2,2,2-trifluoroethyl 2-phenylpyrrolidine-1-carboxylate
CID 61067662
7-methyl-2-(3-phenyloxaziridine-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 169211424
(2-ethylpyrrolidin-1-yl)-phenylmethanone
CID 20577009
[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-phenylmethanone
CID 28706917

Frequently Asked Questions

What is the IUPAC name of [2-(fluoromethyl)pyrrolidin-1-yl]-(3-phenyloxaziridin-2-yl)methanone?
The IUPAC name of [2-(fluoromethyl)pyrrolidin-1-yl]-(3-phenyloxaziridin-2-yl)methanone (CID 169211455) is [2-(fluoromethyl)pyrrolidin-1-yl]-(3-phenyloxaziridin-2-yl)methanone.
What is the SMILES notation for [2-(fluoromethyl)pyrrolidin-1-yl]-(3-phenyloxaziridin-2-yl)methanone?
The canonical SMILES for [2-(fluoromethyl)pyrrolidin-1-yl]-(3-phenyloxaziridin-2-yl)methanone is O=C(N1CCCC1CF)N1OC1c1ccccc1.
What is the InChIKey of [2-(fluoromethyl)pyrrolidin-1-yl]-(3-phenyloxaziridin-2-yl)methanone?
The InChIKey is UPJVHCVXLWZIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O2/c14-9-11-7-4-8-15(11)13(17)16-12(18-16)10-5-2-1-3-6-10/h1-3,5-6,11-12H,4,7-9H2.
What are the key properties of [2-(fluoromethyl)pyrrolidin-1-yl]-(3-phenyloxaziridin-2-yl)methanone?
[2-(fluoromethyl)pyrrolidin-1-yl]-(3-phenyloxaziridin-2-yl)methanone has a molecular weight of 250.27 g/mol, XLogP of 2.49, 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-phenyloxaziridin-2-yl)methanone is sourced from PubChem (CID 169211455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).