4-(2-amino-1-hydroxyethyl)-3,5-difluorophenol

C8H9F2NO2 — CID 84770929

IUPAC4-(2-amino-1-hydroxyethyl)-3,5-difluorophenol
SMILESNCC(O)c1c(F)cc(O)cc1F
InChIInChI=1S/C8H9F2NO2/c9-5-1-4(12)2-6(10)8(5)7(13)3-11/h1-2,7,12-13H,3,11H2
InChIKeyJVOWGNSCMUZXGT-UHFFFAOYSA-N
MW189.16 g/mol
LogP0.66
Rot. Bonds2

About 4-(2-amino-1-hydroxyethyl)-3,5-difluorophenol

4-(2-amino-1-hydroxyethyl)-3,5-difluorophenol (PubChem CID 84770929) has the molecular formula C8H9F2NO2 and a molecular weight of 189.16 g/mol. Its IUPAC name is 4-(2-amino-1-hydroxyethyl)-3,5-difluorophenol.

Molecular Properties

Compound Name4-(2-amino-1-hydroxyethyl)-3,5-difluorophenol
PubChem CID84770929
Molecular FormulaC8H9F2NO2
Molecular Weight189.16 g/mol
Exact Mass189.06
IUPAC Name4-(2-amino-1-hydroxyethyl)-3,5-difluorophenol
SMILESNCC(O)c1c(F)cc(O)cc1F
InChIInChI=1S/C8H9F2NO2/c9-5-1-4(12)2-6(10)8(5)7(13)3-11/h1-2,7,12-13H,3,11H2
InChIKeyJVOWGNSCMUZXGT-UHFFFAOYSA-N
XLogP0.66
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.16
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-1-hydroxyethyl)-3,5-difluorophenol?
The IUPAC name of 4-(2-amino-1-hydroxyethyl)-3,5-difluorophenol (CID 84770929) is 4-(2-amino-1-hydroxyethyl)-3,5-difluorophenol.
What is the SMILES notation for 4-(2-amino-1-hydroxyethyl)-3,5-difluorophenol?
The canonical SMILES for 4-(2-amino-1-hydroxyethyl)-3,5-difluorophenol is NCC(O)c1c(F)cc(O)cc1F.
What is the InChIKey of 4-(2-amino-1-hydroxyethyl)-3,5-difluorophenol?
The InChIKey is JVOWGNSCMUZXGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2NO2/c9-5-1-4(12)2-6(10)8(5)7(13)3-11/h1-2,7,12-13H,3,11H2.
What are the key properties of 4-(2-amino-1-hydroxyethyl)-3,5-difluorophenol?
4-(2-amino-1-hydroxyethyl)-3,5-difluorophenol has a molecular weight of 189.16 g/mol, XLogP of 0.66, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-1-hydroxyethyl)-3,5-difluorophenol is sourced from PubChem (CID 84770929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).