2-(1-amino-1,1,3,3-tetrafluoro-2-hydroxypropan-2-yl)phenol

C9H9F4NO2 — CID 57273210

IUPAC2-(1-amino-1,1,3,3-tetrafluoro-2-hydroxypropan-2-yl)phenol
SMILESNC(F)(F)C(O)(c1ccccc1O)C(F)F
InChIInChI=1S/C9H9F4NO2/c10-7(11)8(16,9(12,13)14)5-3-1-2-4-6(5)15/h1-4,7,15-16H,14H2
InChIKeyTXHXGLXXIVWYBB-UHFFFAOYSA-N
MW239.17 g/mol
LogP1.40
Rot. Bonds3

About 2-(1-amino-1,1,3,3-tetrafluoro-2-hydroxypropan-2-yl)phenol

2-(1-amino-1,1,3,3-tetrafluoro-2-hydroxypropan-2-yl)phenol (PubChem CID 57273210) has the molecular formula C9H9F4NO2 and a molecular weight of 239.17 g/mol. Its IUPAC name is 2-(1-amino-1,1,3,3-tetrafluoro-2-hydroxypropan-2-yl)phenol.

Molecular Properties

Compound Name2-(1-amino-1,1,3,3-tetrafluoro-2-hydroxypropan-2-yl)phenol
PubChem CID57273210
Molecular FormulaC9H9F4NO2
Molecular Weight239.17 g/mol
Exact Mass239.06
IUPAC Name2-(1-amino-1,1,3,3-tetrafluoro-2-hydroxypropan-2-yl)phenol
SMILESNC(F)(F)C(O)(c1ccccc1O)C(F)F
InChIInChI=1S/C9H9F4NO2/c10-7(11)8(16,9(12,13)14)5-3-1-2-4-6(5)15/h1-4,7,15-16H,14H2
InChIKeyTXHXGLXXIVWYBB-UHFFFAOYSA-N
XLogP1.40
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.17
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

2-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2-yl)-4-methylphenol
CID 13779016
2-Octopamine
CID 122286
2-(Hexafluoro-2-hydroxy-2-propyl)phenol
CID 11265423
2-(2-Aminoethyl)-3,4-difluorophenol hydrobromide
CID 178199991
Butyl-6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenol
CID 135122021
o-(4,4,5,5,6,6,7,7,7-Nonafluoroheptyl)phenol
CID 171920579
2-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2-yl)-5-methylphenol
CID 13901457
alpha-(Difluoronitromethyl)-3-(1,1-dimethylethyl)-2-hydroxy-alpha-(trifluoromethyl)benzenemethanol
CID 14358359
4-(2-Aminoethyl)-2-(trifluoromethyl)phenol
CID 81590560
2-(1,1,1,2,3,3,3-Heptafluoropropan-2-yl)phenol
CID 13358022
2-[4-(Aminomethyl)-5,5,5-trifluoro-4-hydroxy-2-methylpentan-2-yl]-4-fluorophenol
CID 17935606
2-(2-Aminoethyl)-4-fluorophenol
CID 17958621

Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-1,1,3,3-tetrafluoro-2-hydroxypropan-2-yl)phenol?
The IUPAC name of 2-(1-amino-1,1,3,3-tetrafluoro-2-hydroxypropan-2-yl)phenol (CID 57273210) is 2-(1-amino-1,1,3,3-tetrafluoro-2-hydroxypropan-2-yl)phenol.
What is the SMILES notation for 2-(1-amino-1,1,3,3-tetrafluoro-2-hydroxypropan-2-yl)phenol?
The canonical SMILES for 2-(1-amino-1,1,3,3-tetrafluoro-2-hydroxypropan-2-yl)phenol is NC(F)(F)C(O)(c1ccccc1O)C(F)F.
What is the InChIKey of 2-(1-amino-1,1,3,3-tetrafluoro-2-hydroxypropan-2-yl)phenol?
The InChIKey is TXHXGLXXIVWYBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F4NO2/c10-7(11)8(16,9(12,13)14)5-3-1-2-4-6(5)15/h1-4,7,15-16H,14H2.
What are the key properties of 2-(1-amino-1,1,3,3-tetrafluoro-2-hydroxypropan-2-yl)phenol?
2-(1-amino-1,1,3,3-tetrafluoro-2-hydroxypropan-2-yl)phenol has a molecular weight of 239.17 g/mol, XLogP of 1.40, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-1,1,3,3-tetrafluoro-2-hydroxypropan-2-yl)phenol is sourced from PubChem (CID 57273210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).