2-methyl-3-(2,3,5,6-tetrafluoroanilino)butan-2-ol

C11H13F4NO — CID 107643968

IUPAC2-methyl-3-(2,3,5,6-tetrafluoroanilino)butan-2-ol
SMILESCC(Nc1c(F)c(F)cc(F)c1F)C(C)(C)O
InChIInChI=1S/C11H13F4NO/c1-5(11(2,3)17)16-10-8(14)6(12)4-7(13)9(10)15/h4-5,16-17H,1-3H3
InChIKeyJMQQMDMINMUVTI-UHFFFAOYSA-N
MW251.22 g/mol
LogP2.81
Rot. Bonds3

About 2-methyl-3-(2,3,5,6-tetrafluoroanilino)butan-2-ol

2-methyl-3-(2,3,5,6-tetrafluoroanilino)butan-2-ol (PubChem CID 107643968) has the molecular formula C11H13F4NO and a molecular weight of 251.22 g/mol. Its IUPAC name is 2-methyl-3-(2,3,5,6-tetrafluoroanilino)butan-2-ol.

Molecular Properties

Compound Name2-methyl-3-(2,3,5,6-tetrafluoroanilino)butan-2-ol
PubChem CID107643968
Molecular FormulaC11H13F4NO
Molecular Weight251.22 g/mol
Exact Mass251.09
IUPAC Name2-methyl-3-(2,3,5,6-tetrafluoroanilino)butan-2-ol
SMILESCC(Nc1c(F)c(F)cc(F)c1F)C(C)(C)O
InChIInChI=1S/C11H13F4NO/c1-5(11(2,3)17)16-10-8(14)6(12)4-7(13)9(10)15/h4-5,16-17H,1-3H3
InChIKeyJMQQMDMINMUVTI-UHFFFAOYSA-N
XLogP2.81
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.22
LogP ≤ 52.81
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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2,3,5,6-tetrafluoroanilino)butan-2-ol?
The IUPAC name of 2-methyl-3-(2,3,5,6-tetrafluoroanilino)butan-2-ol (CID 107643968) is 2-methyl-3-(2,3,5,6-tetrafluoroanilino)butan-2-ol.
What is the SMILES notation for 2-methyl-3-(2,3,5,6-tetrafluoroanilino)butan-2-ol?
The canonical SMILES for 2-methyl-3-(2,3,5,6-tetrafluoroanilino)butan-2-ol is CC(Nc1c(F)c(F)cc(F)c1F)C(C)(C)O.
What is the InChIKey of 2-methyl-3-(2,3,5,6-tetrafluoroanilino)butan-2-ol?
The InChIKey is JMQQMDMINMUVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F4NO/c1-5(11(2,3)17)16-10-8(14)6(12)4-7(13)9(10)15/h4-5,16-17H,1-3H3.
What are the key properties of 2-methyl-3-(2,3,5,6-tetrafluoroanilino)butan-2-ol?
2-methyl-3-(2,3,5,6-tetrafluoroanilino)butan-2-ol has a molecular weight of 251.22 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2,3,5,6-tetrafluoroanilino)butan-2-ol is sourced from PubChem (CID 107643968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).