3-(2-aminopropan-2-yl)-2,4-difluorophenol

C9H11F2NO — CID 84770298

IUPAC3-(2-aminopropan-2-yl)-2,4-difluorophenol
SMILESCC(C)(N)c1c(F)ccc(O)c1F
InChIInChI=1S/C9H11F2NO/c1-9(2,12)7-5(10)3-4-6(13)8(7)11/h3-4,13H,12H2,1-2H3
InChIKeyKGDAFSYAGMFFMP-UHFFFAOYSA-N
MW187.19 g/mol
LogP1.86
Rot. Bonds1

About 3-(2-aminopropan-2-yl)-2,4-difluorophenol

3-(2-aminopropan-2-yl)-2,4-difluorophenol (PubChem CID 84770298) has the molecular formula C9H11F2NO and a molecular weight of 187.19 g/mol. Its IUPAC name is 3-(2-aminopropan-2-yl)-2,4-difluorophenol.

Molecular Properties

Compound Name3-(2-aminopropan-2-yl)-2,4-difluorophenol
PubChem CID84770298
Molecular FormulaC9H11F2NO
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Name3-(2-aminopropan-2-yl)-2,4-difluorophenol
SMILESCC(C)(N)c1c(F)ccc(O)c1F
InChIInChI=1S/C9H11F2NO/c1-9(2,12)7-5(10)3-4-6(13)8(7)11/h3-4,13H,12H2,1-2H3
InChIKeyKGDAFSYAGMFFMP-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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminopropan-2-yl)-2,4-difluorophenol?
The IUPAC name of 3-(2-aminopropan-2-yl)-2,4-difluorophenol (CID 84770298) is 3-(2-aminopropan-2-yl)-2,4-difluorophenol.
What is the SMILES notation for 3-(2-aminopropan-2-yl)-2,4-difluorophenol?
The canonical SMILES for 3-(2-aminopropan-2-yl)-2,4-difluorophenol is CC(C)(N)c1c(F)ccc(O)c1F.
What is the InChIKey of 3-(2-aminopropan-2-yl)-2,4-difluorophenol?
The InChIKey is KGDAFSYAGMFFMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2NO/c1-9(2,12)7-5(10)3-4-6(13)8(7)11/h3-4,13H,12H2,1-2H3.
What are the key properties of 3-(2-aminopropan-2-yl)-2,4-difluorophenol?
3-(2-aminopropan-2-yl)-2,4-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 3-(2-aminopropan-2-yl)-2,4-difluorophenol is sourced from PubChem (CID 84770298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).