2-(2-aminoethyl)-3,4-difluorophenol;hydrobromide

C8H10BrF2NO — CID 178199991

IUPAC2-(2-aminoethyl)-3,4-difluorophenol;hydrobromide
SMILESBr.NCCc1c(O)ccc(F)c1F
InChIInChI=1S/C8H9F2NO.BrH/c9-6-1-2-7(12)5(3-4-11)8(6)10;/h1-2,12H,3-4,11H2;1H
InChIKeyFOEJALBBOAMYJB-UHFFFAOYSA-N
MW254.07 g/mol
LogP1.75
Rot. Bonds2

About 2-(2-aminoethyl)-3,4-difluorophenol;hydrobromide

2-(2-aminoethyl)-3,4-difluorophenol;hydrobromide (PubChem CID 178199991) has the molecular formula C8H10BrF2NO and a molecular weight of 254.07 g/mol. Its IUPAC name is 2-(2-aminoethyl)-3,4-difluorophenol;hydrobromide.

Molecular Properties

Compound Name2-(2-aminoethyl)-3,4-difluorophenol;hydrobromide
PubChem CID178199991
Molecular FormulaC8H10BrF2NO
Molecular Weight254.07 g/mol
Exact Mass252.99
IUPAC Name2-(2-aminoethyl)-3,4-difluorophenol;hydrobromide
SMILESBr.NCCc1c(O)ccc(F)c1F
InChIInChI=1S/C8H9F2NO.BrH/c9-6-1-2-7(12)5(3-4-11)8(6)10;/h1-2,12H,3-4,11H2;1H
InChIKeyFOEJALBBOAMYJB-UHFFFAOYSA-N
XLogP1.75
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.07
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-3,4-difluorophenol;hydrobromide?
The IUPAC name of 2-(2-aminoethyl)-3,4-difluorophenol;hydrobromide (CID 178199991) is 2-(2-aminoethyl)-3,4-difluorophenol;hydrobromide.
What is the SMILES notation for 2-(2-aminoethyl)-3,4-difluorophenol;hydrobromide?
The canonical SMILES for 2-(2-aminoethyl)-3,4-difluorophenol;hydrobromide is Br.NCCc1c(O)ccc(F)c1F.
What is the InChIKey of 2-(2-aminoethyl)-3,4-difluorophenol;hydrobromide?
The InChIKey is FOEJALBBOAMYJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2NO.BrH/c9-6-1-2-7(12)5(3-4-11)8(6)10;/h1-2,12H,3-4,11H2;1H.
What are the key properties of 2-(2-aminoethyl)-3,4-difluorophenol;hydrobromide?
2-(2-aminoethyl)-3,4-difluorophenol;hydrobromide has a molecular weight of 254.07 g/mol, XLogP of 1.75, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-3,4-difluorophenol;hydrobromide is sourced from PubChem (CID 178199991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).