(3,4-difluoro-2-hydroxyphenyl)azanium;ethane

C8H12F2NO+ — CID 171811093

IUPAC(3,4-difluoro-2-hydroxyphenyl)azanium;ethane
SMILESCC.[NH3+]c1ccc(F)c(F)c1O
InChIInChI=1S/C6H5F2NO.C2H6/c7-3-1-2-4(9)6(10)5(3)8;1-2/h1-2,10H,9H2;1-2H3/p+1
InChIKeyJGXCUYBOWIFHTQ-UHFFFAOYSA-O
MW176.19 g/mol
LogP1.57
Rot. Bonds

About (3,4-difluoro-2-hydroxyphenyl)azanium;ethane

(3,4-difluoro-2-hydroxyphenyl)azanium;ethane (PubChem CID 171811093) has the molecular formula C8H12F2NO+ and a molecular weight of 176.19 g/mol. Its IUPAC name is (3,4-difluoro-2-hydroxyphenyl)azanium;ethane.

Molecular Properties

Compound Name(3,4-difluoro-2-hydroxyphenyl)azanium;ethane
PubChem CID171811093
Molecular FormulaC8H12F2NO+
Molecular Weight176.19 g/mol
Exact Mass176.09
IUPAC Name(3,4-difluoro-2-hydroxyphenyl)azanium;ethane
SMILESCC.[NH3+]c1ccc(F)c(F)c1O
InChIInChI=1S/C6H5F2NO.C2H6/c7-3-1-2-4(9)6(10)5(3)8;1-2/h1-2,10H,9H2;1-2H3/p+1
InChIKeyJGXCUYBOWIFHTQ-UHFFFAOYSA-O
XLogP1.57
TPSA47.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.19
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3,4-difluoro-2-hydroxyphenyl)azanium;ethane?
The IUPAC name of (3,4-difluoro-2-hydroxyphenyl)azanium;ethane (CID 171811093) is (3,4-difluoro-2-hydroxyphenyl)azanium;ethane.
What is the SMILES notation for (3,4-difluoro-2-hydroxyphenyl)azanium;ethane?
The canonical SMILES for (3,4-difluoro-2-hydroxyphenyl)azanium;ethane is CC.[NH3+]c1ccc(F)c(F)c1O.
What is the InChIKey of (3,4-difluoro-2-hydroxyphenyl)azanium;ethane?
The InChIKey is JGXCUYBOWIFHTQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H5F2NO.C2H6/c7-3-1-2-4(9)6(10)5(3)8;1-2/h1-2,10H,9H2;1-2H3/p+1.
What are the key properties of (3,4-difluoro-2-hydroxyphenyl)azanium;ethane?
(3,4-difluoro-2-hydroxyphenyl)azanium;ethane has a molecular weight of 176.19 g/mol, XLogP of 1.57, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-difluoro-2-hydroxyphenyl)azanium;ethane is sourced from PubChem (CID 171811093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).