(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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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).