2-(2-aminopropan-2-yl)-3,6-difluorophenol

C9H11F2NO — CID 117280747

IUPAC2-(2-aminopropan-2-yl)-3,6-difluorophenol
SMILESCC(C)(N)c1c(F)ccc(F)c1O
InChIInChI=1S/C9H11F2NO/c1-9(2,12)7-5(10)3-4-6(11)8(7)13/h3-4,13H,12H2,1-2H3
InChIKeyZVWPWFHKNKTAFM-UHFFFAOYSA-N
MW187.19 g/mol
LogP1.86
Rot. Bonds1

About 2-(2-aminopropan-2-yl)-3,6-difluorophenol

2-(2-aminopropan-2-yl)-3,6-difluorophenol (PubChem CID 117280747) has the molecular formula C9H11F2NO and a molecular weight of 187.19 g/mol. Its IUPAC name is 2-(2-aminopropan-2-yl)-3,6-difluorophenol.

Molecular Properties

Compound Name2-(2-aminopropan-2-yl)-3,6-difluorophenol
PubChem CID117280747
Molecular FormulaC9H11F2NO
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Name2-(2-aminopropan-2-yl)-3,6-difluorophenol
SMILESCC(C)(N)c1c(F)ccc(F)c1O
InChIInChI=1S/C9H11F2NO/c1-9(2,12)7-5(10)3-4-6(11)8(7)13/h3-4,13H,12H2,1-2H3
InChIKeyZVWPWFHKNKTAFM-UHFFFAOYSA-N
XLogP1.86
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[(2R)-2-amino-1-hydroxypropan-2-yl]-3-fluoro-6-methylphenol
CID 130700380
2-(2-aminopropan-2-yl)-3-bromo-6-fluoro-4-methylphenol
CID 84807026
2-(2-aminopropan-2-yl)-3-chloro-6-fluoro-4-methylphenol
CID 84785858
6-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)-3-methylphenol
CID 117287928
3-(2-aminopropan-2-yl)-4-bromo-6-fluoro-2-methoxyphenol
CID 117445523
3-chloro-6-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)phenol
CID 117311600
6-(2-aminopropan-2-yl)-3-fluoro-2-methoxyphenol
CID 117288541
2-(3-chloro-6-fluoro-2-methoxyphenyl)propan-2-amine
CID 117310322
2-(2-fluoro-6-methylsulfanylphenyl)propan-2-amine
CID 117288826
2-(2,3-difluoro-6-methoxyphenyl)propan-2-amine
CID 83410012
2,4-difluoro-3-(2-hydroxypropan-2-yl)phenol
CID 117280993
4-(2-aminopropan-2-yl)-3-chloro-5-fluorophenol
CID 84777632

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopropan-2-yl)-3,6-difluorophenol?
The IUPAC name of 2-(2-aminopropan-2-yl)-3,6-difluorophenol (CID 117280747) is 2-(2-aminopropan-2-yl)-3,6-difluorophenol.
What is the SMILES notation for 2-(2-aminopropan-2-yl)-3,6-difluorophenol?
The canonical SMILES for 2-(2-aminopropan-2-yl)-3,6-difluorophenol is CC(C)(N)c1c(F)ccc(F)c1O.
What is the InChIKey of 2-(2-aminopropan-2-yl)-3,6-difluorophenol?
The InChIKey is ZVWPWFHKNKTAFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2NO/c1-9(2,12)7-5(10)3-4-6(11)8(7)13/h3-4,13H,12H2,1-2H3.
What are the key properties of 2-(2-aminopropan-2-yl)-3,6-difluorophenol?
2-(2-aminopropan-2-yl)-3,6-difluorophenol has a molecular weight of 187.19 g/mol, XLogP of 1.86, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopropan-2-yl)-3,6-difluorophenol is sourced from PubChem (CID 117280747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).