1-phenylmethoxy-2,2-bis(trifluoromethyl)aziridine

C11H9F6NO — CID 561601

IUPAC1-phenylmethoxy-2,2-bis(trifluoromethyl)aziridine
SMILESFC(F)(F)C1(C(F)(F)F)CN1OCc1ccccc1
InChIInChI=1S/C11H9F6NO/c12-10(13,14)9(11(15,16)17)7-18(9)19-6-8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKeyXRYKUKGVFHTQPQ-UHFFFAOYSA-N
MW285.19 g/mol
LogP3.30
Rot. Bonds3

About 1-phenylmethoxy-2,2-bis(trifluoromethyl)aziridine

1-phenylmethoxy-2,2-bis(trifluoromethyl)aziridine (PubChem CID 561601) has the molecular formula C11H9F6NO and a molecular weight of 285.19 g/mol. Its IUPAC name is 1-phenylmethoxy-2,2-bis(trifluoromethyl)aziridine.

Molecular Properties

Compound Name1-phenylmethoxy-2,2-bis(trifluoromethyl)aziridine
PubChem CID561601
Molecular FormulaC11H9F6NO
Molecular Weight285.19 g/mol
Exact Mass285.06
IUPAC Name1-phenylmethoxy-2,2-bis(trifluoromethyl)aziridine
SMILESFC(F)(F)C1(C(F)(F)F)CN1OCc1ccccc1
InChIInChI=1S/C11H9F6NO/c12-10(13,14)9(11(15,16)17)7-18(9)19-6-8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKeyXRYKUKGVFHTQPQ-UHFFFAOYSA-N
XLogP3.30
TPSA12.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.19
LogP ≤ 53.30
H-Bond Donors ≤ 50
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 1-phenylmethoxy-2,2-bis(trifluoromethyl)aziridine?
The IUPAC name of 1-phenylmethoxy-2,2-bis(trifluoromethyl)aziridine (CID 561601) is 1-phenylmethoxy-2,2-bis(trifluoromethyl)aziridine.
What is the SMILES notation for 1-phenylmethoxy-2,2-bis(trifluoromethyl)aziridine?
The canonical SMILES for 1-phenylmethoxy-2,2-bis(trifluoromethyl)aziridine is FC(F)(F)C1(C(F)(F)F)CN1OCc1ccccc1.
What is the InChIKey of 1-phenylmethoxy-2,2-bis(trifluoromethyl)aziridine?
The InChIKey is XRYKUKGVFHTQPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F6NO/c12-10(13,14)9(11(15,16)17)7-18(9)19-6-8-4-2-1-3-5-8/h1-5H,6-7H2.
What are the key properties of 1-phenylmethoxy-2,2-bis(trifluoromethyl)aziridine?
1-phenylmethoxy-2,2-bis(trifluoromethyl)aziridine has a molecular weight of 285.19 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylmethoxy-2,2-bis(trifluoromethyl)aziridine is sourced from PubChem (CID 561601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).