2-(2-amino-4-methylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol

C10H9F6NO — CID 14510511

IUPAC2-(2-amino-4-methylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESCc1ccc(C(O)(C(F)(F)F)C(F)(F)F)c(N)c1
InChIInChI=1S/C10H9F6NO/c1-5-2-3-6(7(17)4-5)8(18,9(11,12)13)10(14,15)16/h2-4,18H,17H2,1H3
InChIKeyPPODXUOOCIBRSV-UHFFFAOYSA-N
MW273.18 g/mol
LogP2.89
Rot. Bonds1

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

2-(2-amino-4-methylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol (PubChem CID 14510511) has the molecular formula C10H9F6NO and a molecular weight of 273.18 g/mol. Its IUPAC name is 2-(2-amino-4-methylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol.

Molecular Properties

Compound Name2-(2-amino-4-methylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
PubChem CID14510511
Molecular FormulaC10H9F6NO
Molecular Weight273.18 g/mol
Exact Mass273.06
IUPAC Name2-(2-amino-4-methylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESCc1ccc(C(O)(C(F)(F)F)C(F)(F)F)c(N)c1
InChIInChI=1S/C10H9F6NO/c1-5-2-3-6(7(17)4-5)8(18,9(11,12)13)10(14,15)16/h2-4,18H,17H2,1H3
InChIKeyPPODXUOOCIBRSV-UHFFFAOYSA-N
XLogP2.89
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.18
LogP ≤ 52.89
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-(2-amino-4-methylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The IUPAC name of 2-(2-amino-4-methylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol (CID 14510511) is 2-(2-amino-4-methylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol.
What is the SMILES notation for 2-(2-amino-4-methylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The canonical SMILES for 2-(2-amino-4-methylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol is Cc1ccc(C(O)(C(F)(F)F)C(F)(F)F)c(N)c1.
What is the InChIKey of 2-(2-amino-4-methylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The InChIKey is PPODXUOOCIBRSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F6NO/c1-5-2-3-6(7(17)4-5)8(18,9(11,12)13)10(14,15)16/h2-4,18H,17H2,1H3.
What are the key properties of 2-(2-amino-4-methylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
2-(2-amino-4-methylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol has a molecular weight of 273.18 g/mol, XLogP of 2.89, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-methylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol is sourced from PubChem (CID 14510511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).