1-[(3-fluorophenyl)methyl]aziridin-2-one

C9H8FNO — CID 88919956

IUPAC1-[(3-fluorophenyl)methyl]aziridin-2-one
SMILESO=C1CN1Cc1cccc(F)c1
InChIInChI=1S/C9H8FNO/c10-8-3-1-2-7(4-8)5-11-6-9(11)12/h1-4H,5-6H2
InChIKeyCYBJDCIDMUTEFK-UHFFFAOYSA-N
MW165.17 g/mol
LogP1.17
Rot. Bonds2

About 1-[(3-fluorophenyl)methyl]aziridin-2-one

1-[(3-fluorophenyl)methyl]aziridin-2-one (PubChem CID 88919956) has the molecular formula C9H8FNO and a molecular weight of 165.17 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]aziridin-2-one.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]aziridin-2-one
PubChem CID88919956
Molecular FormulaC9H8FNO
Molecular Weight165.17 g/mol
Exact Mass165.06
IUPAC Name1-[(3-fluorophenyl)methyl]aziridin-2-one
SMILESO=C1CN1Cc1cccc(F)c1
InChIInChI=1S/C9H8FNO/c10-8-3-1-2-7(4-8)5-11-6-9(11)12/h1-4H,5-6H2
InChIKeyCYBJDCIDMUTEFK-UHFFFAOYSA-N
XLogP1.17
TPSA20.08 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.17
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[(3-fluorophenyl)methyl]aziridin-2-one;3-methoxypropanamide
CID 88919955
(3S)-1-benzyl-4-[(3-fluorophenyl)methyl]-3-methylpiperazine-2,5-dione
CID 165423232
4-[(3-fluorophenyl)methyl]-1,4-diazepan-1-ium-5-one
CID 7447150
(3S)-1-[(3-fluorophenyl)methyl]-4-(3-hydroxypropyl)-3-methylpiperazine-2,5-dione
CID 165424719
3-tert-butyl-1-[(3-fluorophenyl)methyl]piperazine-2,5-dione
CID 64880761
1-(3-bromophenyl)-7-[(3-fluorophenyl)methyl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
CID 69362444
CID 88914851
CID 88914851
4-[2-(3,5-dichlorophenyl)acetyl]-1-[(3-fluorophenyl)methyl]piperazin-2-one
CID 166358962
1-[(3-fluorophenyl)methyl]-4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-2-one
CID 133353797
1-[(3-fluorophenyl)methyl]-6-methyl-2H-pyridin-4-ol
CID 141203487
2-[4-[(3-fluorophenyl)methyl]-5-oxomorpholin-2-yl]acetic acid
CID 115060361
1-benzyl-4-[(3-fluorophenyl)methyl]piperazine
CID 764596

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]aziridin-2-one?
The IUPAC name of 1-[(3-fluorophenyl)methyl]aziridin-2-one (CID 88919956) is 1-[(3-fluorophenyl)methyl]aziridin-2-one.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]aziridin-2-one?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]aziridin-2-one is O=C1CN1Cc1cccc(F)c1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]aziridin-2-one?
The InChIKey is CYBJDCIDMUTEFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FNO/c10-8-3-1-2-7(4-8)5-11-6-9(11)12/h1-4H,5-6H2.
What are the key properties of 1-[(3-fluorophenyl)methyl]aziridin-2-one?
1-[(3-fluorophenyl)methyl]aziridin-2-one has a molecular weight of 165.17 g/mol, XLogP of 1.17, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]aziridin-2-one is sourced from PubChem (CID 88919956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).