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

C11H15F2NO — CID 65332839

IUPAC3-(2,5-difluoroanilino)-2-methylbutan-2-ol
SMILESCC(Nc1cc(F)ccc1F)C(C)(C)O
InChIInChI=1S/C11H15F2NO/c1-7(11(2,3)15)14-10-6-8(12)4-5-9(10)13/h4-7,14-15H,1-3H3
InChIKeyFSXQHTVGNCRDFY-UHFFFAOYSA-N
MW215.24 g/mol
LogP2.54
Rot. Bonds3

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

3-(2,5-difluoroanilino)-2-methylbutan-2-ol (PubChem CID 65332839) has the molecular formula C11H15F2NO and a molecular weight of 215.24 g/mol. Its IUPAC name is 3-(2,5-difluoroanilino)-2-methylbutan-2-ol.

Molecular Properties

Compound Name3-(2,5-difluoroanilino)-2-methylbutan-2-ol
PubChem CID65332839
Molecular FormulaC11H15F2NO
Molecular Weight215.24 g/mol
Exact Mass215.11
IUPAC Name3-(2,5-difluoroanilino)-2-methylbutan-2-ol
SMILESCC(Nc1cc(F)ccc1F)C(C)(C)O
InChIInChI=1S/C11H15F2NO/c1-7(11(2,3)15)14-10-6-8(12)4-5-9(10)13/h4-7,14-15H,1-3H3
InChIKeyFSXQHTVGNCRDFY-UHFFFAOYSA-N
XLogP2.54
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
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

3-(5-chloro-2-fluoroanilino)-2-methylbutan-2-ol
CID 65333189
3-(4-fluoro-2-iodoanilino)-2-methylbutan-2-ol
CID 79768647
3-(2-chloro-4-fluoroanilino)-2-methylbutan-2-ol
CID 65332798
3-(4-chloro-2-fluoroanilino)-2-methylbutan-2-ol
CID 65337978
3-(2-fluoro-4-methylanilino)-2-methylbutan-2-ol
CID 65332580
2,5-difluoro-N-(3-methylbutan-2-yl)aniline
CID 43192572
N-[1-(4-tert-butylphenyl)ethyl]-2,5-difluoroaniline
CID 43106797
N-[1-(2,5-difluorophenyl)ethyl]-2,5-difluoroaniline
CID 43192587
N-[1-(2,4-difluorophenyl)ethyl]-2,5-difluoroaniline
CID 43192585
2-methyl-3-(2,3,5,6-tetrafluoroanilino)butan-2-ol
CID 107643968
N-cyclopropyl-2-(2,5-difluoroanilino)propanamide
CID 43083939
2,5-difluoro-N-(1-phenylethyl)aniline
CID 43178058

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-difluoroanilino)-2-methylbutan-2-ol?
The IUPAC name of 3-(2,5-difluoroanilino)-2-methylbutan-2-ol (CID 65332839) is 3-(2,5-difluoroanilino)-2-methylbutan-2-ol.
What is the SMILES notation for 3-(2,5-difluoroanilino)-2-methylbutan-2-ol?
The canonical SMILES for 3-(2,5-difluoroanilino)-2-methylbutan-2-ol is CC(Nc1cc(F)ccc1F)C(C)(C)O.
What is the InChIKey of 3-(2,5-difluoroanilino)-2-methylbutan-2-ol?
The InChIKey is FSXQHTVGNCRDFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO/c1-7(11(2,3)15)14-10-6-8(12)4-5-9(10)13/h4-7,14-15H,1-3H3.
What are the key properties of 3-(2,5-difluoroanilino)-2-methylbutan-2-ol?
3-(2,5-difluoroanilino)-2-methylbutan-2-ol has a molecular weight of 215.24 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-difluoroanilino)-2-methylbutan-2-ol is sourced from PubChem (CID 65332839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).