1-fluoro-2,3-dimethyl-2,3-diphenylaziridine

C16H16FN — CID 134994319

IUPAC1-fluoro-2,3-dimethyl-2,3-diphenylaziridine
SMILESCC1(c2ccccc2)N(F)C1(C)c1ccccc1
InChIInChI=1S/C16H16FN/c1-15(13-9-5-3-6-10-13)16(2,18(15)17)14-11-7-4-8-12-14/h3-12H,1-2H3
InChIKeyMWSFFVQXDPPVEW-UHFFFAOYSA-N
MW241.31 g/mol
LogP4.02
Rot. Bonds2

About 1-fluoro-2,3-dimethyl-2,3-diphenylaziridine

1-fluoro-2,3-dimethyl-2,3-diphenylaziridine (PubChem CID 134994319) has the molecular formula C16H16FN and a molecular weight of 241.31 g/mol. Its IUPAC name is 1-fluoro-2,3-dimethyl-2,3-diphenylaziridine.

Molecular Properties

Compound Name1-fluoro-2,3-dimethyl-2,3-diphenylaziridine
PubChem CID134994319
Molecular FormulaC16H16FN
Molecular Weight241.31 g/mol
Exact Mass241.13
IUPAC Name1-fluoro-2,3-dimethyl-2,3-diphenylaziridine
SMILESCC1(c2ccccc2)N(F)C1(C)c1ccccc1
InChIInChI=1S/C16H16FN/c1-15(13-9-5-3-6-10-13)16(2,18(15)17)14-11-7-4-8-12-14/h3-12H,1-2H3
InChIKeyMWSFFVQXDPPVEW-UHFFFAOYSA-N
XLogP4.02
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2R,3S)-1-fluoro-2-methyl-2,3-diphenylaziridine
CID 12547279
1-fluoro-2,3-dimethyl-2-phenylaziridine
CID 12547280
1,2,3,4,5,6-hexafluoro-2,3-diphenylpyrazine
CID 174861792
3,6-dimethyl-3,6-diphenylcyclohexa-1,4-diene
CID 618605
(2R,3R)-1,2-dimethyl-2,3-diphenylpyrrolidin-3-ol
CID 125492615
(2R)-1,2-dimethyl-2-phenylaziridine
CID 102030003
(1,2-dimethyl-2-phenylcyclopropyl)benzene
CID 3657661
(2-bromo-2-fluoro-1,3,3-trimethylcyclopropyl)benzene
CID 134986145
1,2,3,4,5,6,7,8,9,10-decakis-phenylhexacyclo[4.4.0.02,5.03,9.04,8.07,10]decane
CID 132561908
1,3,3,4,6,6-hexamethyl-2,5-diphenyltricyclo[3.1.0.02,4]hexane
CID 134979823
11,11-dimethyl-1,8-diphenyl-9,10-dioxatricyclo[6.2.1.02,7]undeca-2,4,6-triene
CID 12742317
3-fluoro-1-methyl-3-phenylazetidine
CID 126996744

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2,3-dimethyl-2,3-diphenylaziridine?
The IUPAC name of 1-fluoro-2,3-dimethyl-2,3-diphenylaziridine (CID 134994319) is 1-fluoro-2,3-dimethyl-2,3-diphenylaziridine.
What is the SMILES notation for 1-fluoro-2,3-dimethyl-2,3-diphenylaziridine?
The canonical SMILES for 1-fluoro-2,3-dimethyl-2,3-diphenylaziridine is CC1(c2ccccc2)N(F)C1(C)c1ccccc1.
What is the InChIKey of 1-fluoro-2,3-dimethyl-2,3-diphenylaziridine?
The InChIKey is MWSFFVQXDPPVEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN/c1-15(13-9-5-3-6-10-13)16(2,18(15)17)14-11-7-4-8-12-14/h3-12H,1-2H3.
What are the key properties of 1-fluoro-2,3-dimethyl-2,3-diphenylaziridine?
1-fluoro-2,3-dimethyl-2,3-diphenylaziridine has a molecular weight of 241.31 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2,3-dimethyl-2,3-diphenylaziridine is sourced from PubChem (CID 134994319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).