4-(2-aminopropan-2-yl)-2,6-difluorobenzene-1,3-diol

C9H11F2NO2 — CID 84777103

IUPAC4-(2-aminopropan-2-yl)-2,6-difluorobenzene-1,3-diol
SMILESCC(C)(N)c1cc(F)c(O)c(F)c1O
InChIInChI=1S/C9H11F2NO2/c1-9(2,12)4-3-5(10)8(14)6(11)7(4)13/h3,13-14H,12H2,1-2H3
InChIKeyRPKDYMPIZGIFAX-UHFFFAOYSA-N
MW203.19 g/mol
LogP1.57
Rot. Bonds1

About 4-(2-aminopropan-2-yl)-2,6-difluorobenzene-1,3-diol

4-(2-aminopropan-2-yl)-2,6-difluorobenzene-1,3-diol (PubChem CID 84777103) has the molecular formula C9H11F2NO2 and a molecular weight of 203.19 g/mol. Its IUPAC name is 4-(2-aminopropan-2-yl)-2,6-difluorobenzene-1,3-diol.

Molecular Properties

Compound Name4-(2-aminopropan-2-yl)-2,6-difluorobenzene-1,3-diol
PubChem CID84777103
Molecular FormulaC9H11F2NO2
Molecular Weight203.19 g/mol
Exact Mass203.08
IUPAC Name4-(2-aminopropan-2-yl)-2,6-difluorobenzene-1,3-diol
SMILESCC(C)(N)c1cc(F)c(O)c(F)c1O
InChIInChI=1S/C9H11F2NO2/c1-9(2,12)4-3-5(10)8(14)6(11)7(4)13/h3,13-14H,12H2,1-2H3
InChIKeyRPKDYMPIZGIFAX-UHFFFAOYSA-N
XLogP1.57
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.19
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-aminopropan-2-yl)-4-bromo-6-fluorophenol
CID 117372735
6-(2-aminopropan-2-yl)-2-fluoro-3-methylphenol
CID 117279619
6-(2-aminopropan-2-yl)-4-chloro-2-fluoro-3-methoxyphenol
CID 84796633
5-(2-aminopropan-2-yl)-2-fluoro-3,6-dimethylphenol
CID 84774489
2-(2-aminopropan-2-yl)-5-bromo-4-fluorophenol
CID 84803507
6-[2-(3,5-difluoro-2-hydroxy-4-methylphenyl)propan-2-yl]-2,4-difluoro-3-methylphenol
CID 139903440
2-(3-bromo-2,4,5-trifluorophenyl)propan-2-amine
CID 117111939
2-methyl-2-(3,4,5-trifluoro-2-hydroxyphenyl)propanenitrile
CID 84783703
2-(2-aminopropan-2-yl)-6-tert-butyl-4-chlorophenol
CID 117356716
2-(2-fluoro-4,5-dimethylphenyl)propan-2-amine
CID 84768561
2-(2-aminopropan-2-yl)-3-bromo-6-fluoro-4-methylphenol
CID 84807026
6-(2-aminopropan-2-yl)-3-fluoro-2-methoxyphenol
CID 117288541

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminopropan-2-yl)-2,6-difluorobenzene-1,3-diol?
The IUPAC name of 4-(2-aminopropan-2-yl)-2,6-difluorobenzene-1,3-diol (CID 84777103) is 4-(2-aminopropan-2-yl)-2,6-difluorobenzene-1,3-diol.
What is the SMILES notation for 4-(2-aminopropan-2-yl)-2,6-difluorobenzene-1,3-diol?
The canonical SMILES for 4-(2-aminopropan-2-yl)-2,6-difluorobenzene-1,3-diol is CC(C)(N)c1cc(F)c(O)c(F)c1O.
What is the InChIKey of 4-(2-aminopropan-2-yl)-2,6-difluorobenzene-1,3-diol?
The InChIKey is RPKDYMPIZGIFAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2NO2/c1-9(2,12)4-3-5(10)8(14)6(11)7(4)13/h3,13-14H,12H2,1-2H3.
What are the key properties of 4-(2-aminopropan-2-yl)-2,6-difluorobenzene-1,3-diol?
4-(2-aminopropan-2-yl)-2,6-difluorobenzene-1,3-diol has a molecular weight of 203.19 g/mol, XLogP of 1.57, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminopropan-2-yl)-2,6-difluorobenzene-1,3-diol is sourced from PubChem (CID 84777103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).