3-(3,4-difluoroanilino)-3-methylbutan-2-ol

C11H15F2NO — CID 139927979

IUPAC3-(3,4-difluoroanilino)-3-methylbutan-2-ol
SMILESCC(O)C(C)(C)Nc1ccc(F)c(F)c1
InChIInChI=1S/C11H15F2NO/c1-7(15)11(2,3)14-8-4-5-9(12)10(13)6-8/h4-7,14-15H,1-3H3
InChIKeyJLUSQDDOCXBZNM-UHFFFAOYSA-N
MW215.24 g/mol
LogP2.54
Rot. Bonds3

About 3-(3,4-difluoroanilino)-3-methylbutan-2-ol

3-(3,4-difluoroanilino)-3-methylbutan-2-ol (PubChem CID 139927979) has the molecular formula C11H15F2NO and a molecular weight of 215.24 g/mol. Its IUPAC name is 3-(3,4-difluoroanilino)-3-methylbutan-2-ol.

Molecular Properties

Compound Name3-(3,4-difluoroanilino)-3-methylbutan-2-ol
PubChem CID139927979
Molecular FormulaC11H15F2NO
Molecular Weight215.24 g/mol
Exact Mass215.11
IUPAC Name3-(3,4-difluoroanilino)-3-methylbutan-2-ol
SMILESCC(O)C(C)(C)Nc1ccc(F)c(F)c1
InChIInChI=1S/C11H15F2NO/c1-7(15)11(2,3)14-8-4-5-9(12)10(13)6-8/h4-7,14-15H,1-3H3
InChIKeyJLUSQDDOCXBZNM-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

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluoroanilino)-3-methylbutan-2-ol?
The IUPAC name of 3-(3,4-difluoroanilino)-3-methylbutan-2-ol (CID 139927979) is 3-(3,4-difluoroanilino)-3-methylbutan-2-ol.
What is the SMILES notation for 3-(3,4-difluoroanilino)-3-methylbutan-2-ol?
The canonical SMILES for 3-(3,4-difluoroanilino)-3-methylbutan-2-ol is CC(O)C(C)(C)Nc1ccc(F)c(F)c1.
What is the InChIKey of 3-(3,4-difluoroanilino)-3-methylbutan-2-ol?
The InChIKey is JLUSQDDOCXBZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO/c1-7(15)11(2,3)14-8-4-5-9(12)10(13)6-8/h4-7,14-15H,1-3H3.
What are the key properties of 3-(3,4-difluoroanilino)-3-methylbutan-2-ol?
3-(3,4-difluoroanilino)-3-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-(3,4-difluoroanilino)-3-methylbutan-2-ol is sourced from PubChem (CID 139927979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).