(2S,3S)-2-(difluoromethyl)-3-diphenylphosphoryl-2-methoxyaziridine

C16H16F2NO2P — CID 11850193

IUPAC(2S,3S)-2-(difluoromethyl)-3-diphenylphosphoryl-2-methoxyaziridine
SMILESCO[C@]1(C(F)F)N[C@H]1P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H16F2NO2P/c1-21-16(14(17)18)15(19-16)22(20,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11,14-15,19H,1H3/t15-,16-/m0/s1
InChIKeySUUABPLVGZWYHM-HOTGVXAUSA-N
MW323.28 g/mol
LogP2.54
Rot. Bonds5

About (2S,3S)-2-(difluoromethyl)-3-diphenylphosphoryl-2-methoxyaziridine

(2S,3S)-2-(difluoromethyl)-3-diphenylphosphoryl-2-methoxyaziridine (PubChem CID 11850193) has the molecular formula C16H16F2NO2P and a molecular weight of 323.28 g/mol. Its IUPAC name is (2S,3S)-2-(difluoromethyl)-3-diphenylphosphoryl-2-methoxyaziridine.

Molecular Properties

Compound Name(2S,3S)-2-(difluoromethyl)-3-diphenylphosphoryl-2-methoxyaziridine
PubChem CID11850193
Molecular FormulaC16H16F2NO2P
Molecular Weight323.28 g/mol
Exact Mass323.09
IUPAC Name(2S,3S)-2-(difluoromethyl)-3-diphenylphosphoryl-2-methoxyaziridine
SMILESCO[C@]1(C(F)F)N[C@H]1P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H16F2NO2P/c1-21-16(14(17)18)15(19-16)22(20,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11,14-15,19H,1H3/t15-,16-/m0/s1
InChIKeySUUABPLVGZWYHM-HOTGVXAUSA-N
XLogP2.54
TPSA48.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.28
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methoxymethane;[methyl(phenyl)phosphoryl]benzene
CID 90840778
(5S)-5-diphenylphosphoryl-2,2-dimethylpyrrolidine
CID 11087864
[chloro(methoxy)phosphoryl]benzene;phosphoryl trichloride
CID 174937208
[[(S)-diethoxyphosphoryl(fluoro)methyl]-ethoxyphosphoryl]benzene
CID 10449767
1-[chloro(diphenylphosphoryl)methyl]-4-methoxybenzene
CID 11002796
[chloromethyl(methoxy)phosphoryl]benzene
CID 59938019
[propan-2-yl(propan-2-yloxy)phosphoryl]benzene
CID 21317872
2,2,2-trichloro-1-[ethoxy(phenyl)phosphoryl]ethanol
CID 46220815
(R)-[ethoxy(phenyl)phosphoryl]-(4-fluorophenyl)methanol
CID 11860165
diphenylphosphorylbenzene;methyl N-(methoxycarbonylamino)carbamate
CID 139081479
potassium methoxy(phenyl)phosphinate
CID 141246459
1-[methoxy(phenyl)phosphoryl]-2-phenylethanone
CID 86255472

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-(difluoromethyl)-3-diphenylphosphoryl-2-methoxyaziridine?
The IUPAC name of (2S,3S)-2-(difluoromethyl)-3-diphenylphosphoryl-2-methoxyaziridine (CID 11850193) is (2S,3S)-2-(difluoromethyl)-3-diphenylphosphoryl-2-methoxyaziridine.
What is the SMILES notation for (2S,3S)-2-(difluoromethyl)-3-diphenylphosphoryl-2-methoxyaziridine?
The canonical SMILES for (2S,3S)-2-(difluoromethyl)-3-diphenylphosphoryl-2-methoxyaziridine is CO[C@]1(C(F)F)N[C@H]1P(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2S,3S)-2-(difluoromethyl)-3-diphenylphosphoryl-2-methoxyaziridine?
The InChIKey is SUUABPLVGZWYHM-HOTGVXAUSA-N. The full InChI is InChI=1S/C16H16F2NO2P/c1-21-16(14(17)18)15(19-16)22(20,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11,14-15,19H,1H3/t15-,16-/m0/s1.
What are the key properties of (2S,3S)-2-(difluoromethyl)-3-diphenylphosphoryl-2-methoxyaziridine?
(2S,3S)-2-(difluoromethyl)-3-diphenylphosphoryl-2-methoxyaziridine has a molecular weight of 323.28 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-(difluoromethyl)-3-diphenylphosphoryl-2-methoxyaziridine is sourced from PubChem (CID 11850193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).