2-(2,6-dimethylphenyl)imino-3,3,3-trifluoro-1-phenylpropan-1-ol

C17H16F3NO — CID 10979726

IUPAC2-(2,6-dimethylphenyl)imino-3,3,3-trifluoro-1-phenylpropan-1-ol
SMILESCc1cccc(C)c1/N=C(/C(O)c1ccccc1)C(F)(F)F
InChIInChI=1S/C17H16F3NO/c1-11-7-6-8-12(2)14(11)21-16(17(18,19)20)15(22)13-9-4-3-5-10-13/h3-10,15,22H,1-2H3/b21-16-
InChIKeyHPADMAIHEOJPQM-PGMHBOJBSA-N
MW307.31 g/mol
LogP4.67
Rot. Bonds3

About 2-(2,6-dimethylphenyl)imino-3,3,3-trifluoro-1-phenylpropan-1-ol

2-(2,6-dimethylphenyl)imino-3,3,3-trifluoro-1-phenylpropan-1-ol (PubChem CID 10979726) has the molecular formula C17H16F3NO and a molecular weight of 307.31 g/mol. Its IUPAC name is 2-(2,6-dimethylphenyl)imino-3,3,3-trifluoro-1-phenylpropan-1-ol.

Molecular Properties

Compound Name2-(2,6-dimethylphenyl)imino-3,3,3-trifluoro-1-phenylpropan-1-ol
PubChem CID10979726
Molecular FormulaC17H16F3NO
Molecular Weight307.31 g/mol
Exact Mass307.12
IUPAC Name2-(2,6-dimethylphenyl)imino-3,3,3-trifluoro-1-phenylpropan-1-ol
SMILESCc1cccc(C)c1/N=C(/C(O)c1ccccc1)C(F)(F)F
InChIInChI=1S/C17H16F3NO/c1-11-7-6-8-12(2)14(11)21-16(17(18,19)20)15(22)13-9-4-3-5-10-13/h3-10,15,22H,1-2H3/b21-16-
InChIKeyHPADMAIHEOJPQM-PGMHBOJBSA-N
XLogP4.67
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(2,6-dimethylphenyl)imino-2,2,5,5-tetramethylhexan-3-ol
CID 15323884
(Z,1S)-2,3,4,4,4-pentafluoro-1-phenylbut-2-en-1-ol
CID 125477473
1-[N-(2,6-dimethylphenyl)-C-(trifluoromethyl)carbonimidoyl]cyclohexan-1-ol
CID 11120097
chromium;N-(2,6-dimethylphenyl)-1-[6-[N-(2,6-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine
CID 175164835
diphenyl N,N'-bis(2,6-dimethylphenyl)ethanediimidoselenoate
CID 86204980
[2-methyl-4-(trifluoromethyl)phenyl]-phenylmethanol
CID 102751287
N-(2,6-dimethylphenyl)-1-[6-[N-(2,6-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;vanadium;trichloride
CID 173243974
(2-bromo-3-methylphenyl)-phenylmethanol
CID 107983305
2-[hydroxy(phenyl)methyl]-3-methylphenol
CID 54494463
(1S)-2,2,2-trifluoro-1-phenylethanol
CID 1472401
methyl N'-(2,6-dimethylphenyl)-N-[[N-(2,6-dimethylphenyl)-C-methylsulfanylcarbonimidoyl]amino]carbamimidothioate
CID 137436477
2,2-difluoro-2-(2-methylphenyl)sulfonyl-1-phenylethanol
CID 19804765

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylphenyl)imino-3,3,3-trifluoro-1-phenylpropan-1-ol?
The IUPAC name of 2-(2,6-dimethylphenyl)imino-3,3,3-trifluoro-1-phenylpropan-1-ol (CID 10979726) is 2-(2,6-dimethylphenyl)imino-3,3,3-trifluoro-1-phenylpropan-1-ol.
What is the SMILES notation for 2-(2,6-dimethylphenyl)imino-3,3,3-trifluoro-1-phenylpropan-1-ol?
The canonical SMILES for 2-(2,6-dimethylphenyl)imino-3,3,3-trifluoro-1-phenylpropan-1-ol is Cc1cccc(C)c1/N=C(/C(O)c1ccccc1)C(F)(F)F.
What is the InChIKey of 2-(2,6-dimethylphenyl)imino-3,3,3-trifluoro-1-phenylpropan-1-ol?
The InChIKey is HPADMAIHEOJPQM-PGMHBOJBSA-N. The full InChI is InChI=1S/C17H16F3NO/c1-11-7-6-8-12(2)14(11)21-16(17(18,19)20)15(22)13-9-4-3-5-10-13/h3-10,15,22H,1-2H3/b21-16-.
What are the key properties of 2-(2,6-dimethylphenyl)imino-3,3,3-trifluoro-1-phenylpropan-1-ol?
2-(2,6-dimethylphenyl)imino-3,3,3-trifluoro-1-phenylpropan-1-ol has a molecular weight of 307.31 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylphenyl)imino-3,3,3-trifluoro-1-phenylpropan-1-ol is sourced from PubChem (CID 10979726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).