2-methyl-1-(2,3,5-trifluoroanilino)butan-2-ol

C11H14F3NO — CID 114493086

IUPAC2-methyl-1-(2,3,5-trifluoroanilino)butan-2-ol
SMILESCCC(C)(O)CNc1cc(F)cc(F)c1F
InChIInChI=1S/C11H14F3NO/c1-3-11(2,16)6-15-9-5-7(12)4-8(13)10(9)14/h4-5,15-16H,3,6H2,1-2H3
InChIKeyXZAFJPXZHIKLNH-UHFFFAOYSA-N
MW233.23 g/mol
LogP2.68
Rot. Bonds4

About 2-methyl-1-(2,3,5-trifluoroanilino)butan-2-ol

2-methyl-1-(2,3,5-trifluoroanilino)butan-2-ol (PubChem CID 114493086) has the molecular formula C11H14F3NO and a molecular weight of 233.23 g/mol. Its IUPAC name is 2-methyl-1-(2,3,5-trifluoroanilino)butan-2-ol.

Molecular Properties

Compound Name2-methyl-1-(2,3,5-trifluoroanilino)butan-2-ol
PubChem CID114493086
Molecular FormulaC11H14F3NO
Molecular Weight233.23 g/mol
Exact Mass233.10
IUPAC Name2-methyl-1-(2,3,5-trifluoroanilino)butan-2-ol
SMILESCCC(C)(O)CNc1cc(F)cc(F)c1F
InChIInChI=1S/C11H14F3NO/c1-3-11(2,16)6-15-9-5-7(12)4-8(13)10(9)14/h4-5,15-16H,3,6H2,1-2H3
InChIKeyXZAFJPXZHIKLNH-UHFFFAOYSA-N
XLogP2.68
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-(3,5-difluoroanilino)-2-methylbutan-2-ol
CID 114492692
1-(2-chloro-5-fluoroanilino)-2-methylbutan-2-ol
CID 107528405
1-(2-amino-3,5-difluoroanilino)-2-methylpentan-2-ol
CID 106290155
2-(2,3,5-trifluoroanilino)acetonitrile
CID 62810613
2,3,5-trifluoro-N-(2-methylpropyl)aniline
CID 62811497
1-(2-amino-3,5-difluoroanilino)-3-(dimethylamino)-2-methylpropan-2-ol
CID 106141719
1-(3,5-difluoro-2-nitroanilino)-2-methylpentan-2-ol
CID 106290675
tert-butyl 2-(2,3,5-trifluoroanilino)acetate
CID 55138442
(Z)-2-methyl-4-(2,3,5-trifluoroanilino)but-2-enoic acid
CID 103249627
2,3,5-trifluoro-N-[2-(4-methylpiperazin-1-yl)ethyl]aniline
CID 82889889
2-methyl-3-(2,3,5-trifluoroanilino)propanoic acid
CID 62810259
N',N'-dimethyl-N-(2,3,5-trifluorophenyl)ethane-1,2-diamine
CID 62809389

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2,3,5-trifluoroanilino)butan-2-ol?
The IUPAC name of 2-methyl-1-(2,3,5-trifluoroanilino)butan-2-ol (CID 114493086) is 2-methyl-1-(2,3,5-trifluoroanilino)butan-2-ol.
What is the SMILES notation for 2-methyl-1-(2,3,5-trifluoroanilino)butan-2-ol?
The canonical SMILES for 2-methyl-1-(2,3,5-trifluoroanilino)butan-2-ol is CCC(C)(O)CNc1cc(F)cc(F)c1F.
What is the InChIKey of 2-methyl-1-(2,3,5-trifluoroanilino)butan-2-ol?
The InChIKey is XZAFJPXZHIKLNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO/c1-3-11(2,16)6-15-9-5-7(12)4-8(13)10(9)14/h4-5,15-16H,3,6H2,1-2H3.
What are the key properties of 2-methyl-1-(2,3,5-trifluoroanilino)butan-2-ol?
2-methyl-1-(2,3,5-trifluoroanilino)butan-2-ol has a molecular weight of 233.23 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2,3,5-trifluoroanilino)butan-2-ol is sourced from PubChem (CID 114493086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).