(2R)-1,1,1-trifluoro-2-methyl-4-phenyl-4-propan-2-yliminobutan-2-ol

C14H18F3NO — CID 7147157

IUPAC(2R)-1,1,1-trifluoro-2-methyl-4-phenyl-4-propan-2-yliminobutan-2-ol
SMILESCC(C)/N=C(/C[C@@](C)(O)C(F)(F)F)c1ccccc1
InChIInChI=1S/C14H18F3NO/c1-10(2)18-12(11-7-5-4-6-8-11)9-13(3,19)14(15,16)17/h4-8,10,19H,9H2,1-3H3/b18-12-/t13-/m1/s1
InChIKeyKWVAYDZSGXTIKW-FDIDITGRSA-N
MW273.30 g/mol
LogP3.59
Rot. Bonds4

About (2R)-1,1,1-trifluoro-2-methyl-4-phenyl-4-propan-2-yliminobutan-2-ol

(2R)-1,1,1-trifluoro-2-methyl-4-phenyl-4-propan-2-yliminobutan-2-ol (PubChem CID 7147157) has the molecular formula C14H18F3NO and a molecular weight of 273.30 g/mol. Its IUPAC name is (2R)-1,1,1-trifluoro-2-methyl-4-phenyl-4-propan-2-yliminobutan-2-ol.

Molecular Properties

Compound Name(2R)-1,1,1-trifluoro-2-methyl-4-phenyl-4-propan-2-yliminobutan-2-ol
PubChem CID7147157
Molecular FormulaC14H18F3NO
Molecular Weight273.30 g/mol
Exact Mass273.13
IUPAC Name(2R)-1,1,1-trifluoro-2-methyl-4-phenyl-4-propan-2-yliminobutan-2-ol
SMILESCC(C)/N=C(/C[C@@](C)(O)C(F)(F)F)c1ccccc1
InChIInChI=1S/C14H18F3NO/c1-10(2)18-12(11-7-5-4-6-8-11)9-13(3,19)14(15,16)17/h4-8,10,19H,9H2,1-3H3/b18-12-/t13-/m1/s1
InChIKeyKWVAYDZSGXTIKW-FDIDITGRSA-N
XLogP3.59
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 53.59
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

Butyrophenone, 3-hydroxy-4,4,4-trifluoro-3-trifluoromethyl-, azine
CID 5467793
Butyrophenone, 3-hydroxy-4,4,4-trifluoro-3-trifluoromethyl-, oxime
CID 6069848
1-[C-(2-fluorophenyl)-N-methylcarbonimidoyl]cyclopentan-1-ol
CID 13771616
(4E)-1,1,1-trifluoro-4-phenyl-4-[(E)-[4,4,4-trifluoro-3-hydroxy-1-phenyl-3-(trifluoromethyl)butylidene]hydrazinylidene]-2-(trifluoromethyl)butan-2-ol
CID 5362292
3-(4-methylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
CID 10538310
2,2,3,3,4,4,5-Heptafluoro-1-(2-phenyl-2-propan-2-yliminoethyl)-5-(trifluoromethyl)cyclopentan-1-ol
CID 11396509
(NE,R)-2-methyl-N-[(3S)-4,4,4-trifluoro-3-hydroxy-3-methyl-1-phenylbutylidene]propane-2-sulfinamide
CID 16059717
2,2-difluoro-1-phenyl-N-propan-2-ylpentan-1-imine
CID 101419532
4,4,4-Trifluoro-3-hydroxy-1-phenyl-3-(trifluoromethyl)-1-butanone hydrazone
CID 5915856
(2R)-2-[1-(3-fluorophenyl)propylideneamino]-3-methylbutan-1-ol
CID 58736091
5-(1,1,2,2,2-pentafluoroethyl)-3-phenyl-4H-1,2-oxazol-5-ol
CID 87600016
5-(1,1,2,2,3,3,3-heptafluoropropyl)-3-phenyl-4H-1,2-oxazol-5-ol
CID 89298413

Frequently Asked Questions

What is the IUPAC name of (2R)-1,1,1-trifluoro-2-methyl-4-phenyl-4-propan-2-yliminobutan-2-ol?
The IUPAC name of (2R)-1,1,1-trifluoro-2-methyl-4-phenyl-4-propan-2-yliminobutan-2-ol (CID 7147157) is (2R)-1,1,1-trifluoro-2-methyl-4-phenyl-4-propan-2-yliminobutan-2-ol.
What is the SMILES notation for (2R)-1,1,1-trifluoro-2-methyl-4-phenyl-4-propan-2-yliminobutan-2-ol?
The canonical SMILES for (2R)-1,1,1-trifluoro-2-methyl-4-phenyl-4-propan-2-yliminobutan-2-ol is CC(C)/N=C(/C[C@@](C)(O)C(F)(F)F)c1ccccc1.
What is the InChIKey of (2R)-1,1,1-trifluoro-2-methyl-4-phenyl-4-propan-2-yliminobutan-2-ol?
The InChIKey is KWVAYDZSGXTIKW-FDIDITGRSA-N. The full InChI is InChI=1S/C14H18F3NO/c1-10(2)18-12(11-7-5-4-6-8-11)9-13(3,19)14(15,16)17/h4-8,10,19H,9H2,1-3H3/b18-12-/t13-/m1/s1.
What are the key properties of (2R)-1,1,1-trifluoro-2-methyl-4-phenyl-4-propan-2-yliminobutan-2-ol?
(2R)-1,1,1-trifluoro-2-methyl-4-phenyl-4-propan-2-yliminobutan-2-ol has a molecular weight of 273.30 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1,1,1-trifluoro-2-methyl-4-phenyl-4-propan-2-yliminobutan-2-ol is sourced from PubChem (CID 7147157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).