2-(4-amino-2,5-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol

C11H11F6NO — CID 58543596

IUPAC2-(4-amino-2,5-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESCc1cc(C(O)(C(F)(F)F)C(F)(F)F)c(C)cc1N
InChIInChI=1S/C11H11F6NO/c1-5-4-8(18)6(2)3-7(5)9(19,10(12,13)14)11(15,16)17/h3-4,19H,18H2,1-2H3
InChIKeyFHEJLTQZDJCHTQ-UHFFFAOYSA-N
MW287.20 g/mol
LogP3.20
Rot. Bonds1

About 2-(4-amino-2,5-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol

2-(4-amino-2,5-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol (PubChem CID 58543596) has the molecular formula C11H11F6NO and a molecular weight of 287.20 g/mol. Its IUPAC name is 2-(4-amino-2,5-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol.

Molecular Properties

Compound Name2-(4-amino-2,5-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
PubChem CID58543596
Molecular FormulaC11H11F6NO
Molecular Weight287.20 g/mol
Exact Mass287.07
IUPAC Name2-(4-amino-2,5-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESCc1cc(C(O)(C(F)(F)F)C(F)(F)F)c(C)cc1N
InChIInChI=1S/C11H11F6NO/c1-5-4-8(18)6(2)3-7(5)9(19,10(12,13)14)11(15,16)17/h3-4,19H,18H2,1-2H3
InChIKeyFHEJLTQZDJCHTQ-UHFFFAOYSA-N
XLogP3.20
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.20
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2,5-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The IUPAC name of 2-(4-amino-2,5-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol (CID 58543596) is 2-(4-amino-2,5-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol.
What is the SMILES notation for 2-(4-amino-2,5-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The canonical SMILES for 2-(4-amino-2,5-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol is Cc1cc(C(O)(C(F)(F)F)C(F)(F)F)c(C)cc1N.
What is the InChIKey of 2-(4-amino-2,5-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The InChIKey is FHEJLTQZDJCHTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F6NO/c1-5-4-8(18)6(2)3-7(5)9(19,10(12,13)14)11(15,16)17/h3-4,19H,18H2,1-2H3.
What are the key properties of 2-(4-amino-2,5-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
2-(4-amino-2,5-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol has a molecular weight of 287.20 g/mol, XLogP of 3.20, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2,5-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol is sourced from PubChem (CID 58543596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).