4-(2-amino-2-methylpropyl)-2-chloro-6-fluorobenzene-1,3-diol

C10H13ClFNO2 — CID 84796627

IUPAC4-(2-amino-2-methylpropyl)-2-chloro-6-fluorobenzene-1,3-diol
SMILESCC(C)(N)Cc1cc(F)c(O)c(Cl)c1O
InChIInChI=1S/C10H13ClFNO2/c1-10(2,13)4-5-3-6(12)9(15)7(11)8(5)14/h3,14-15H,4,13H2,1-2H3
InChIKeySSMSYFQZSLZFER-UHFFFAOYSA-N
MW233.67 g/mol
LogP2.17
Rot. Bonds2

About 4-(2-amino-2-methylpropyl)-2-chloro-6-fluorobenzene-1,3-diol

4-(2-amino-2-methylpropyl)-2-chloro-6-fluorobenzene-1,3-diol (PubChem CID 84796627) has the molecular formula C10H13ClFNO2 and a molecular weight of 233.67 g/mol. Its IUPAC name is 4-(2-amino-2-methylpropyl)-2-chloro-6-fluorobenzene-1,3-diol.

Molecular Properties

Compound Name4-(2-amino-2-methylpropyl)-2-chloro-6-fluorobenzene-1,3-diol
PubChem CID84796627
Molecular FormulaC10H13ClFNO2
Molecular Weight233.67 g/mol
Exact Mass233.06
IUPAC Name4-(2-amino-2-methylpropyl)-2-chloro-6-fluorobenzene-1,3-diol
SMILESCC(C)(N)Cc1cc(F)c(O)c(Cl)c1O
InChIInChI=1S/C10H13ClFNO2/c1-10(2,13)4-5-3-6(12)9(15)7(11)8(5)14/h3,14-15H,4,13H2,1-2H3
InChIKeySSMSYFQZSLZFER-UHFFFAOYSA-N
XLogP2.17
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.67
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

6-(2-amino-2-methylpropyl)-2-bromo-3,4-difluorophenol
CID 84811709
5-(2-amino-2-methylpropyl)-2-chloro-6-fluoro-3-methylphenol
CID 117335588
2-(2-amino-2-methylpropyl)-4-[(dimethylamino)methyl]-6-fluorophenol
CID 117353759
2-(2-amino-2-methylpropyl)-4-fluoro-5-methylphenol
CID 117287292
4-(3-aminopropyl)-2-chloro-6-fluorobenzene-1,3-diol
CID 84787142
1-(2-chloro-3,5-difluorophenyl)-2-methylpropan-2-amine
CID 117313615
2-(2-amino-2-methylpropyl)-6-bromo-4-fluorophenol
CID 84807013
2-(2-amino-2-methylpropyl)-4,5-difluoro-N,N-dimethylaniline
CID 117112029
3-(3-chloro-5-fluoro-2,4-dihydroxyphenyl)propanoic acid
CID 84797135
6-(2-amino-2-methylpropyl)-3-fluoro-2-methoxyphenol
CID 117304251
6-(2-amino-2-methylpropyl)-2-methoxy-3,4-dimethylphenol
CID 117320493
2-(2-aminopropan-2-yl)-3-chloro-6-fluoro-4-methylphenol
CID 84785858

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-methylpropyl)-2-chloro-6-fluorobenzene-1,3-diol?
The IUPAC name of 4-(2-amino-2-methylpropyl)-2-chloro-6-fluorobenzene-1,3-diol (CID 84796627) is 4-(2-amino-2-methylpropyl)-2-chloro-6-fluorobenzene-1,3-diol.
What is the SMILES notation for 4-(2-amino-2-methylpropyl)-2-chloro-6-fluorobenzene-1,3-diol?
The canonical SMILES for 4-(2-amino-2-methylpropyl)-2-chloro-6-fluorobenzene-1,3-diol is CC(C)(N)Cc1cc(F)c(O)c(Cl)c1O.
What is the InChIKey of 4-(2-amino-2-methylpropyl)-2-chloro-6-fluorobenzene-1,3-diol?
The InChIKey is SSMSYFQZSLZFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFNO2/c1-10(2,13)4-5-3-6(12)9(15)7(11)8(5)14/h3,14-15H,4,13H2,1-2H3.
What are the key properties of 4-(2-amino-2-methylpropyl)-2-chloro-6-fluorobenzene-1,3-diol?
4-(2-amino-2-methylpropyl)-2-chloro-6-fluorobenzene-1,3-diol has a molecular weight of 233.67 g/mol, XLogP of 2.17, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-methylpropyl)-2-chloro-6-fluorobenzene-1,3-diol is sourced from PubChem (CID 84796627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).