2-(1,1,1,3,3,3-hexafluoropropan-2-ylamino)phenol

C9H7F6NO — CID 13076683

IUPAC2-(1,1,1,3,3,3-hexafluoropropan-2-ylamino)phenol
SMILESOc1ccccc1NC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H7F6NO/c10-8(11,12)7(9(13,14)15)16-5-3-1-2-4-6(5)17/h1-4,7,16-17H
InChIKeyZACVTQFCPLQGQB-UHFFFAOYSA-N
MW259.15 g/mol
LogP3.30
Rot. Bonds2

About 2-(1,1,1,3,3,3-hexafluoropropan-2-ylamino)phenol

2-(1,1,1,3,3,3-hexafluoropropan-2-ylamino)phenol (PubChem CID 13076683) has the molecular formula C9H7F6NO and a molecular weight of 259.15 g/mol. Its IUPAC name is 2-(1,1,1,3,3,3-hexafluoropropan-2-ylamino)phenol.

Molecular Properties

Compound Name2-(1,1,1,3,3,3-hexafluoropropan-2-ylamino)phenol
PubChem CID13076683
Molecular FormulaC9H7F6NO
Molecular Weight259.15 g/mol
Exact Mass259.04
IUPAC Name2-(1,1,1,3,3,3-hexafluoropropan-2-ylamino)phenol
SMILESOc1ccccc1NC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H7F6NO/c10-8(11,12)7(9(13,14)15)16-5-3-1-2-4-6(5)17/h1-4,7,16-17H
InChIKeyZACVTQFCPLQGQB-UHFFFAOYSA-N
XLogP3.30
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.15
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1,1,3,3,3-hexafluoropropan-2-ylamino)phenol?
The IUPAC name of 2-(1,1,1,3,3,3-hexafluoropropan-2-ylamino)phenol (CID 13076683) is 2-(1,1,1,3,3,3-hexafluoropropan-2-ylamino)phenol.
What is the SMILES notation for 2-(1,1,1,3,3,3-hexafluoropropan-2-ylamino)phenol?
The canonical SMILES for 2-(1,1,1,3,3,3-hexafluoropropan-2-ylamino)phenol is Oc1ccccc1NC(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-(1,1,1,3,3,3-hexafluoropropan-2-ylamino)phenol?
The InChIKey is ZACVTQFCPLQGQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F6NO/c10-8(11,12)7(9(13,14)15)16-5-3-1-2-4-6(5)17/h1-4,7,16-17H.
What are the key properties of 2-(1,1,1,3,3,3-hexafluoropropan-2-ylamino)phenol?
2-(1,1,1,3,3,3-hexafluoropropan-2-ylamino)phenol has a molecular weight of 259.15 g/mol, XLogP of 3.30, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,1,3,3,3-hexafluoropropan-2-ylamino)phenol is sourced from PubChem (CID 13076683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).