1,1,1-trifluoro-4-phenyl-4-propan-2-ylimino-2-(trifluoromethyl)butan-2-ol

C14H15F6NO — CID 2759494

IUPAC1,1,1-trifluoro-4-phenyl-4-propan-2-ylimino-2-(trifluoromethyl)butan-2-ol
SMILESCC(C)/N=C(/CC(O)(C(F)(F)F)C(F)(F)F)c1ccccc1
InChIInChI=1S/C14H15F6NO/c1-9(2)21-11(10-6-4-3-5-7-10)8-12(22,13(15,16)17)14(18,19)20/h3-7,9,22H,8H2,1-2H3/b21-11-
InChIKeyAENNWZZWTXDINQ-NHDPSOOVSA-N
MW327.27 g/mol
LogP4.13
Rot. Bonds4

About 1,1,1-trifluoro-4-phenyl-4-propan-2-ylimino-2-(trifluoromethyl)butan-2-ol

1,1,1-trifluoro-4-phenyl-4-propan-2-ylimino-2-(trifluoromethyl)butan-2-ol (PubChem CID 2759494) has the molecular formula C14H15F6NO and a molecular weight of 327.27 g/mol. Its IUPAC name is 1,1,1-trifluoro-4-phenyl-4-propan-2-ylimino-2-(trifluoromethyl)butan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-4-phenyl-4-propan-2-ylimino-2-(trifluoromethyl)butan-2-ol
PubChem CID2759494
Molecular FormulaC14H15F6NO
Molecular Weight327.27 g/mol
Exact Mass327.11
IUPAC Name1,1,1-trifluoro-4-phenyl-4-propan-2-ylimino-2-(trifluoromethyl)butan-2-ol
SMILESCC(C)/N=C(/CC(O)(C(F)(F)F)C(F)(F)F)c1ccccc1
InChIInChI=1S/C14H15F6NO/c1-9(2)21-11(10-6-4-3-5-7-10)8-12(22,13(15,16)17)14(18,19)20/h3-7,9,22H,8H2,1-2H3/b21-11-
InChIKeyAENNWZZWTXDINQ-NHDPSOOVSA-N
XLogP4.13
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-4-phenyl-4-propan-2-ylimino-2-(trifluoromethyl)butan-2-ol?
The IUPAC name of 1,1,1-trifluoro-4-phenyl-4-propan-2-ylimino-2-(trifluoromethyl)butan-2-ol (CID 2759494) is 1,1,1-trifluoro-4-phenyl-4-propan-2-ylimino-2-(trifluoromethyl)butan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-4-phenyl-4-propan-2-ylimino-2-(trifluoromethyl)butan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-4-phenyl-4-propan-2-ylimino-2-(trifluoromethyl)butan-2-ol is CC(C)/N=C(/CC(O)(C(F)(F)F)C(F)(F)F)c1ccccc1.
What is the InChIKey of 1,1,1-trifluoro-4-phenyl-4-propan-2-ylimino-2-(trifluoromethyl)butan-2-ol?
The InChIKey is AENNWZZWTXDINQ-NHDPSOOVSA-N. The full InChI is InChI=1S/C14H15F6NO/c1-9(2)21-11(10-6-4-3-5-7-10)8-12(22,13(15,16)17)14(18,19)20/h3-7,9,22H,8H2,1-2H3/b21-11-.
What are the key properties of 1,1,1-trifluoro-4-phenyl-4-propan-2-ylimino-2-(trifluoromethyl)butan-2-ol?
1,1,1-trifluoro-4-phenyl-4-propan-2-ylimino-2-(trifluoromethyl)butan-2-ol has a molecular weight of 327.27 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-4-phenyl-4-propan-2-ylimino-2-(trifluoromethyl)butan-2-ol is sourced from PubChem (CID 2759494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).