(2S)-2-[3-(difluoromethoxy)phenyl]aziridine

C9H9F2NO — CID 55264090

IUPAC(2S)-2-[3-(difluoromethoxy)phenyl]aziridine
SMILESFC(F)Oc1cccc([C@H]2CN2)c1
InChIInChI=1S/C9H9F2NO/c10-9(11)13-7-3-1-2-6(4-7)8-5-12-8/h1-4,8-9,12H,5H2/t8-/m1/s1
InChIKeyOBCUYHYPTYFCRH-MRVPVSSYSA-N
MW185.17 g/mol
LogP1.93
Rot. Bonds3

About (2S)-2-[3-(difluoromethoxy)phenyl]aziridine

(2S)-2-[3-(difluoromethoxy)phenyl]aziridine (PubChem CID 55264090) has the molecular formula C9H9F2NO and a molecular weight of 185.17 g/mol. Its IUPAC name is (2S)-2-[3-(difluoromethoxy)phenyl]aziridine.

Molecular Properties

Compound Name(2S)-2-[3-(difluoromethoxy)phenyl]aziridine
PubChem CID55264090
Molecular FormulaC9H9F2NO
Molecular Weight185.17 g/mol
Exact Mass185.07
IUPAC Name(2S)-2-[3-(difluoromethoxy)phenyl]aziridine
SMILESFC(F)Oc1cccc([C@H]2CN2)c1
InChIInChI=1S/C9H9F2NO/c10-9(11)13-7-3-1-2-6(4-7)8-5-12-8/h1-4,8-9,12H,5H2/t8-/m1/s1
InChIKeyOBCUYHYPTYFCRH-MRVPVSSYSA-N
XLogP1.93
TPSA31.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.17
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[3-(difluoromethoxy)phenyl]aziridine?
The IUPAC name of (2S)-2-[3-(difluoromethoxy)phenyl]aziridine (CID 55264090) is (2S)-2-[3-(difluoromethoxy)phenyl]aziridine.
What is the SMILES notation for (2S)-2-[3-(difluoromethoxy)phenyl]aziridine?
The canonical SMILES for (2S)-2-[3-(difluoromethoxy)phenyl]aziridine is FC(F)Oc1cccc([C@H]2CN2)c1.
What is the InChIKey of (2S)-2-[3-(difluoromethoxy)phenyl]aziridine?
The InChIKey is OBCUYHYPTYFCRH-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H9F2NO/c10-9(11)13-7-3-1-2-6(4-7)8-5-12-8/h1-4,8-9,12H,5H2/t8-/m1/s1.
What are the key properties of (2S)-2-[3-(difluoromethoxy)phenyl]aziridine?
(2S)-2-[3-(difluoromethoxy)phenyl]aziridine has a molecular weight of 185.17 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[3-(difluoromethoxy)phenyl]aziridine is sourced from PubChem (CID 55264090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).