2-(4-fluorophenyl)-3-methylaziridine

C9H10FN — CID 71437972

IUPAC2-(4-fluorophenyl)-3-methylaziridine
SMILESCC1NC1c1ccc(F)cc1
InChIInChI=1S/C9H10FN/c1-6-9(11-6)7-2-4-8(10)5-3-7/h2-6,9,11H,1H3
InChIKeyTXVWBQDWMADLGR-UHFFFAOYSA-N
MW151.18 g/mol
LogP1.86
Rot. Bonds1

About 2-(4-fluorophenyl)-3-methylaziridine

2-(4-fluorophenyl)-3-methylaziridine (PubChem CID 71437972) has the molecular formula C9H10FN and a molecular weight of 151.18 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3-methylaziridine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3-methylaziridine
PubChem CID71437972
Molecular FormulaC9H10FN
Molecular Weight151.18 g/mol
Exact Mass151.08
IUPAC Name2-(4-fluorophenyl)-3-methylaziridine
SMILESCC1NC1c1ccc(F)cc1
InChIInChI=1S/C9H10FN/c1-6-9(11-6)7-2-4-8(10)5-3-7/h2-6,9,11H,1H3
InChIKeyTXVWBQDWMADLGR-UHFFFAOYSA-N
XLogP1.86
TPSA21.94 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.18
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2R,3S,5R,6S)-2,6-bis(4-fluorophenyl)-3,5-dimethylpiperidin-4-one
CID 98345871
2-(4-fluorophenyl)-3-methylazetidine
CID 66350538
(2S,3S)-2-(4-fluorophenyl)-3-methylpyrrolidine
CID 82409458
(2S,5R)-2-(4-fluorophenyl)-5-methylpyrrolidine
CID 124509740
1-fluoro-4-(4-methylcyclohexyl)benzene;molecular hydrogen
CID 158127728
(2S,4S,5R)-2-(4-fluorophenyl)-4-methyl-5-phenyl-1,3-oxazolidine
CID 10796683
(3R,4S)-4-(4-fluorophenyl)-3-methoxyazetidin-2-one
CID 130754471
[3-(4-fluorophenyl)-4-methyl-1,2-oxazolidin-5-yl]methanol
CID 139641920
ethane;4-(4-fluorophenyl)piperidine
CID 144692128
2-(4-fluorophenyl)-5-(hydroxymethyl)pyrrolidine-3,4-diol
CID 53427193
(3S,5R)-3-(4-fluorophenyl)-5-methylmorpholine
CID 95437543
1-fluoro-4-[4-(4-fluorophenyl)cyclohexyl]benzene
CID 122631633

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-3-methylaziridine?
The IUPAC name of 2-(4-fluorophenyl)-3-methylaziridine (CID 71437972) is 2-(4-fluorophenyl)-3-methylaziridine.
What is the SMILES notation for 2-(4-fluorophenyl)-3-methylaziridine?
The canonical SMILES for 2-(4-fluorophenyl)-3-methylaziridine is CC1NC1c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-3-methylaziridine?
The InChIKey is TXVWBQDWMADLGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FN/c1-6-9(11-6)7-2-4-8(10)5-3-7/h2-6,9,11H,1H3.
What are the key properties of 2-(4-fluorophenyl)-3-methylaziridine?
2-(4-fluorophenyl)-3-methylaziridine has a molecular weight of 151.18 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-3-methylaziridine is sourced from PubChem (CID 71437972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).