5-[1-[2,2-difluoroethyl(methyl)amino]ethyl]benzene-1,3-diol

C11H15F2NO2 — CID 107708200

IUPAC5-[1-[2,2-difluoroethyl(methyl)amino]ethyl]benzene-1,3-diol
SMILESCC(c1cc(O)cc(O)c1)N(C)CC(F)F
InChIInChI=1S/C11H15F2NO2/c1-7(14(2)6-11(12)13)8-3-9(15)5-10(16)4-8/h3-5,7,11,15-16H,6H2,1-2H3
InChIKeyNMRUHNAILWLTDP-UHFFFAOYSA-N
MW231.24 g/mol
LogP2.36
Rot. Bonds4

About 5-[1-[2,2-difluoroethyl(methyl)amino]ethyl]benzene-1,3-diol

5-[1-[2,2-difluoroethyl(methyl)amino]ethyl]benzene-1,3-diol (PubChem CID 107708200) has the molecular formula C11H15F2NO2 and a molecular weight of 231.24 g/mol. Its IUPAC name is 5-[1-[2,2-difluoroethyl(methyl)amino]ethyl]benzene-1,3-diol.

Molecular Properties

Compound Name5-[1-[2,2-difluoroethyl(methyl)amino]ethyl]benzene-1,3-diol
PubChem CID107708200
Molecular FormulaC11H15F2NO2
Molecular Weight231.24 g/mol
Exact Mass231.11
IUPAC Name5-[1-[2,2-difluoroethyl(methyl)amino]ethyl]benzene-1,3-diol
SMILESCC(c1cc(O)cc(O)c1)N(C)CC(F)F
InChIInChI=1S/C11H15F2NO2/c1-7(14(2)6-11(12)13)8-3-9(15)5-10(16)4-8/h3-5,7,11,15-16H,6H2,1-2H3
InChIKeyNMRUHNAILWLTDP-UHFFFAOYSA-N
XLogP2.36
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.24
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[2,2-difluoroethyl(methyl)amino]ethyl]benzene-1,3-diol?
The IUPAC name of 5-[1-[2,2-difluoroethyl(methyl)amino]ethyl]benzene-1,3-diol (CID 107708200) is 5-[1-[2,2-difluoroethyl(methyl)amino]ethyl]benzene-1,3-diol.
What is the SMILES notation for 5-[1-[2,2-difluoroethyl(methyl)amino]ethyl]benzene-1,3-diol?
The canonical SMILES for 5-[1-[2,2-difluoroethyl(methyl)amino]ethyl]benzene-1,3-diol is CC(c1cc(O)cc(O)c1)N(C)CC(F)F.
What is the InChIKey of 5-[1-[2,2-difluoroethyl(methyl)amino]ethyl]benzene-1,3-diol?
The InChIKey is NMRUHNAILWLTDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO2/c1-7(14(2)6-11(12)13)8-3-9(15)5-10(16)4-8/h3-5,7,11,15-16H,6H2,1-2H3.
What are the key properties of 5-[1-[2,2-difluoroethyl(methyl)amino]ethyl]benzene-1,3-diol?
5-[1-[2,2-difluoroethyl(methyl)amino]ethyl]benzene-1,3-diol has a molecular weight of 231.24 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[2,2-difluoroethyl(methyl)amino]ethyl]benzene-1,3-diol is sourced from PubChem (CID 107708200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).