1-(dicyclopropylmethylideneamino)oxy-3-[4-(trifluoromethyl)anilino]propan-2-ol

C17H21F3N2O2 — CID 10523732

IUPAC1-(dicyclopropylmethylideneamino)oxy-3-[4-(trifluoromethyl)anilino]propan-2-ol
SMILESOC(CNc1ccc(C(F)(F)F)cc1)CON=C(C1CC1)C1CC1
InChIInChI=1S/C17H21F3N2O2/c18-17(19,20)13-5-7-14(8-6-13)21-9-15(23)10-24-22-16(11-1-2-11)12-3-4-12/h5-8,11-12,15,21,23H,1-4,9-10H2
InChIKeyATQWRWLPKWOPMP-UHFFFAOYSA-N
MW342.36 g/mol
LogP3.67
Rot. Bonds8

About 1-(dicyclopropylmethylideneamino)oxy-3-[4-(trifluoromethyl)anilino]propan-2-ol

1-(dicyclopropylmethylideneamino)oxy-3-[4-(trifluoromethyl)anilino]propan-2-ol (PubChem CID 10523732) has the molecular formula C17H21F3N2O2 and a molecular weight of 342.36 g/mol. Its IUPAC name is 1-(dicyclopropylmethylideneamino)oxy-3-[4-(trifluoromethyl)anilino]propan-2-ol.

Molecular Properties

Compound Name1-(dicyclopropylmethylideneamino)oxy-3-[4-(trifluoromethyl)anilino]propan-2-ol
PubChem CID10523732
Molecular FormulaC17H21F3N2O2
Molecular Weight342.36 g/mol
Exact Mass342.16
IUPAC Name1-(dicyclopropylmethylideneamino)oxy-3-[4-(trifluoromethyl)anilino]propan-2-ol
SMILESOC(CNc1ccc(C(F)(F)F)cc1)CON=C(C1CC1)C1CC1
InChIInChI=1S/C17H21F3N2O2/c18-17(19,20)13-5-7-14(8-6-13)21-9-15(23)10-24-22-16(11-1-2-11)12-3-4-12/h5-8,11-12,15,21,23H,1-4,9-10H2
InChIKeyATQWRWLPKWOPMP-UHFFFAOYSA-N
XLogP3.67
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(dicyclopropylmethylideneamino)oxy-3-[4-(trifluoromethyl)anilino]propan-2-ol?
The IUPAC name of 1-(dicyclopropylmethylideneamino)oxy-3-[4-(trifluoromethyl)anilino]propan-2-ol (CID 10523732) is 1-(dicyclopropylmethylideneamino)oxy-3-[4-(trifluoromethyl)anilino]propan-2-ol.
What is the SMILES notation for 1-(dicyclopropylmethylideneamino)oxy-3-[4-(trifluoromethyl)anilino]propan-2-ol?
The canonical SMILES for 1-(dicyclopropylmethylideneamino)oxy-3-[4-(trifluoromethyl)anilino]propan-2-ol is OC(CNc1ccc(C(F)(F)F)cc1)CON=C(C1CC1)C1CC1.
What is the InChIKey of 1-(dicyclopropylmethylideneamino)oxy-3-[4-(trifluoromethyl)anilino]propan-2-ol?
The InChIKey is ATQWRWLPKWOPMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N2O2/c18-17(19,20)13-5-7-14(8-6-13)21-9-15(23)10-24-22-16(11-1-2-11)12-3-4-12/h5-8,11-12,15,21,23H,1-4,9-10H2.
What are the key properties of 1-(dicyclopropylmethylideneamino)oxy-3-[4-(trifluoromethyl)anilino]propan-2-ol?
1-(dicyclopropylmethylideneamino)oxy-3-[4-(trifluoromethyl)anilino]propan-2-ol has a molecular weight of 342.36 g/mol, XLogP of 3.67, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dicyclopropylmethylideneamino)oxy-3-[4-(trifluoromethyl)anilino]propan-2-ol is sourced from PubChem (CID 10523732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).