(2R,3S)-1-fluoro-2-methyl-2,3-diphenylaziridine

C15H14FN — CID 12547279

IUPAC(2R,3S)-1-fluoro-2-methyl-2,3-diphenylaziridine
SMILESC[C@@]1(c2ccccc2)[C@H](c2ccccc2)N1F
InChIInChI=1S/C15H14FN/c1-15(13-10-6-3-7-11-13)14(17(15)16)12-8-4-2-5-9-12/h2-11,14H,1H3/t14-,15+,17?/m0/s1
InChIKeyHSROQGZYYLFWRQ-BTPDTDQASA-N
MW227.28 g/mol
LogP3.84
Rot. Bonds2

About (2R,3S)-1-fluoro-2-methyl-2,3-diphenylaziridine

(2R,3S)-1-fluoro-2-methyl-2,3-diphenylaziridine (PubChem CID 12547279) has the molecular formula C15H14FN and a molecular weight of 227.28 g/mol. Its IUPAC name is (2R,3S)-1-fluoro-2-methyl-2,3-diphenylaziridine.

Molecular Properties

Compound Name(2R,3S)-1-fluoro-2-methyl-2,3-diphenylaziridine
PubChem CID12547279
Molecular FormulaC15H14FN
Molecular Weight227.28 g/mol
Exact Mass227.11
IUPAC Name(2R,3S)-1-fluoro-2-methyl-2,3-diphenylaziridine
SMILESC[C@@]1(c2ccccc2)[C@H](c2ccccc2)N1F
InChIInChI=1S/C15H14FN/c1-15(13-10-6-3-7-11-13)14(17(15)16)12-8-4-2-5-9-12/h2-11,14H,1H3/t14-,15+,17?/m0/s1
InChIKeyHSROQGZYYLFWRQ-BTPDTDQASA-N
XLogP3.84
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 53.84
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

1-fluoro-2,3-dimethyl-2-phenylaziridine
CID 12547280
(3R)-1,2,2-trimethyl-3-phenylaziridine
CID 99770138
1-fluoro-2,3-dimethyl-2,3-diphenylaziridine
CID 134994319
(2R,3R)-2,3-diphenyl-1-azabicyclo[1.1.0]butane
CID 134895589
(1-methyl-4-phenylcyclohexyl)benzene
CID 164683262
(2R,3R)-2-methyl-2,3-diphenyloxirane
CID 11031103
(3R)-1-tert-butylsulfinyl-2,2-dimethyl-3-phenylaziridine
CID 102254705
2-chloro-2-fluoro-1,3-diphenylaziridine
CID 23265826
(1,2,2-trimethyl-3-phenylcyclobutyl)benzene
CID 175871621
(3R,4S)-1-benzyl-3-fluoro-3-(3-methylphenyl)-4-phenylazetidin-2-one
CID 102203464
(2-bromo-2-fluoro-1,3,3-trimethylcyclopropyl)benzene
CID 134986145
(3R,5S)-3-methyl-3,5-diphenyldioxolane
CID 12643785

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-1-fluoro-2-methyl-2,3-diphenylaziridine?
The IUPAC name of (2R,3S)-1-fluoro-2-methyl-2,3-diphenylaziridine (CID 12547279) is (2R,3S)-1-fluoro-2-methyl-2,3-diphenylaziridine.
What is the SMILES notation for (2R,3S)-1-fluoro-2-methyl-2,3-diphenylaziridine?
The canonical SMILES for (2R,3S)-1-fluoro-2-methyl-2,3-diphenylaziridine is C[C@@]1(c2ccccc2)[C@H](c2ccccc2)N1F.
What is the InChIKey of (2R,3S)-1-fluoro-2-methyl-2,3-diphenylaziridine?
The InChIKey is HSROQGZYYLFWRQ-BTPDTDQASA-N. The full InChI is InChI=1S/C15H14FN/c1-15(13-10-6-3-7-11-13)14(17(15)16)12-8-4-2-5-9-12/h2-11,14H,1H3/t14-,15+,17?/m0/s1.
What are the key properties of (2R,3S)-1-fluoro-2-methyl-2,3-diphenylaziridine?
(2R,3S)-1-fluoro-2-methyl-2,3-diphenylaziridine has a molecular weight of 227.28 g/mol, XLogP of 3.84, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-1-fluoro-2-methyl-2,3-diphenylaziridine is sourced from PubChem (CID 12547279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).