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

C8H9F2NO — CID 53404101

IUPAC4-(2-aminoethyl)-2,3-difluorophenol
SMILESNCCc1ccc(O)c(F)c1F
InChIInChI=1S/C8H9F2NO/c9-7-5(3-4-11)1-2-6(12)8(7)10/h1-2,12H,3-4,11H2
InChIKeyLLCQNAYTQXYWOP-UHFFFAOYSA-N
MW173.16 g/mol
LogP1.17
Rot. Bonds2

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

4-(2-aminoethyl)-2,3-difluorophenol (PubChem CID 53404101) has the molecular formula C8H9F2NO and a molecular weight of 173.16 g/mol. Its IUPAC name is 4-(2-aminoethyl)-2,3-difluorophenol.

Molecular Properties

Compound Name4-(2-aminoethyl)-2,3-difluorophenol
PubChem CID53404101
Molecular FormulaC8H9F2NO
Molecular Weight173.16 g/mol
Exact Mass173.07
IUPAC Name4-(2-aminoethyl)-2,3-difluorophenol
SMILESNCCc1ccc(O)c(F)c1F
InChIInChI=1S/C8H9F2NO/c9-7-5(3-4-11)1-2-6(12)8(7)10/h1-2,12H,3-4,11H2
InChIKeyLLCQNAYTQXYWOP-UHFFFAOYSA-N
XLogP1.17
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.16
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-2,3-difluorophenol?
The IUPAC name of 4-(2-aminoethyl)-2,3-difluorophenol (CID 53404101) is 4-(2-aminoethyl)-2,3-difluorophenol.
What is the SMILES notation for 4-(2-aminoethyl)-2,3-difluorophenol?
The canonical SMILES for 4-(2-aminoethyl)-2,3-difluorophenol is NCCc1ccc(O)c(F)c1F.
What is the InChIKey of 4-(2-aminoethyl)-2,3-difluorophenol?
The InChIKey is LLCQNAYTQXYWOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2NO/c9-7-5(3-4-11)1-2-6(12)8(7)10/h1-2,12H,3-4,11H2.
What are the key properties of 4-(2-aminoethyl)-2,3-difluorophenol?
4-(2-aminoethyl)-2,3-difluorophenol has a molecular weight of 173.16 g/mol, XLogP of 1.17, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-2,3-difluorophenol is sourced from PubChem (CID 53404101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).