1-(3,5-difluoroanilino)-2-methylbutan-2-ol

C11H15F2NO — CID 114492692

IUPAC1-(3,5-difluoroanilino)-2-methylbutan-2-ol
SMILESCCC(C)(O)CNc1cc(F)cc(F)c1
InChIInChI=1S/C11H15F2NO/c1-3-11(2,15)7-14-10-5-8(12)4-9(13)6-10/h4-6,14-15H,3,7H2,1-2H3
InChIKeyQFEQZTCJRJPAQS-UHFFFAOYSA-N
MW215.24 g/mol
LogP2.54
Rot. Bonds4

About 1-(3,5-difluoroanilino)-2-methylbutan-2-ol

1-(3,5-difluoroanilino)-2-methylbutan-2-ol (PubChem CID 114492692) has the molecular formula C11H15F2NO and a molecular weight of 215.24 g/mol. Its IUPAC name is 1-(3,5-difluoroanilino)-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-(3,5-difluoroanilino)-2-methylbutan-2-ol
PubChem CID114492692
Molecular FormulaC11H15F2NO
Molecular Weight215.24 g/mol
Exact Mass215.11
IUPAC Name1-(3,5-difluoroanilino)-2-methylbutan-2-ol
SMILESCCC(C)(O)CNc1cc(F)cc(F)c1
InChIInChI=1S/C11H15F2NO/c1-3-11(2,15)7-14-10-5-8(12)4-9(13)6-10/h4-6,14-15H,3,7H2,1-2H3
InChIKeyQFEQZTCJRJPAQS-UHFFFAOYSA-N
XLogP2.54
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.24
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-(2,3,5-trifluoroanilino)butan-2-ol
CID 114493086
1-(2-chloro-5-fluoroanilino)-2-methylbutan-2-ol
CID 107528405
1-(3-fluorophenyl)-3-(2-hydroxy-2-methylbutyl)urea
CID 62734848
1-(3,5-difluoroanilino)butan-2-ol
CID 60885411
2-methyl-1-[4-(trifluoromethylsulfonyl)anilino]butan-2-ol
CID 62662886
3-[(3,5-dichloro-4-fluoroanilino)methyl]pentan-3-ol
CID 107573798
1-(4-ethoxyanilino)-2-methylbutan-2-ol
CID 114492504
1-(3,5-difluoroanilino)propan-2-ol
CID 60886197
1-[(2-chloro-5-fluorophenyl)methylamino]-2-methylbutan-2-ol
CID 102615748
1-(3-methoxy-5-nitroanilino)-2-methylbutan-2-ol
CID 80724443
4-fluoro-N-(2-hydroxy-2-methylbutyl)benzamide
CID 65107691
1-N-(3-chloro-5-fluorophenyl)-2-methylpropane-1,2-diamine
CID 130589138

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluoroanilino)-2-methylbutan-2-ol?
The IUPAC name of 1-(3,5-difluoroanilino)-2-methylbutan-2-ol (CID 114492692) is 1-(3,5-difluoroanilino)-2-methylbutan-2-ol.
What is the SMILES notation for 1-(3,5-difluoroanilino)-2-methylbutan-2-ol?
The canonical SMILES for 1-(3,5-difluoroanilino)-2-methylbutan-2-ol is CCC(C)(O)CNc1cc(F)cc(F)c1.
What is the InChIKey of 1-(3,5-difluoroanilino)-2-methylbutan-2-ol?
The InChIKey is QFEQZTCJRJPAQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO/c1-3-11(2,15)7-14-10-5-8(12)4-9(13)6-10/h4-6,14-15H,3,7H2,1-2H3.
What are the key properties of 1-(3,5-difluoroanilino)-2-methylbutan-2-ol?
1-(3,5-difluoroanilino)-2-methylbutan-2-ol has a molecular weight of 215.24 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluoroanilino)-2-methylbutan-2-ol is sourced from PubChem (CID 114492692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).