4-(2-aminoethyl)-3,5-difluorophenol

C8H9F2NO — CID 44578415

IUPAC4-(2-aminoethyl)-3,5-difluorophenol
SMILESNCCc1c(F)cc(O)cc1F
InChIInChI=1S/C8H9F2NO/c9-7-3-5(12)4-8(10)6(7)1-2-11/h3-4,12H,1-2,11H2
InChIKeyRWSBYJCYOKCTOS-UHFFFAOYSA-N
MW173.16 g/mol
LogP1.17
Rot. Bonds2

About 4-(2-aminoethyl)-3,5-difluorophenol

4-(2-aminoethyl)-3,5-difluorophenol (PubChem CID 44578415) has the molecular formula C8H9F2NO and a molecular weight of 173.16 g/mol. Its IUPAC name is 4-(2-aminoethyl)-3,5-difluorophenol.

Molecular Properties

Compound Name4-(2-aminoethyl)-3,5-difluorophenol
PubChem CID44578415
Molecular FormulaC8H9F2NO
Molecular Weight173.16 g/mol
Exact Mass173.07
IUPAC Name4-(2-aminoethyl)-3,5-difluorophenol
SMILESNCCc1c(F)cc(O)cc1F
InChIInChI=1S/C8H9F2NO/c9-7-3-5(12)4-8(10)6(7)1-2-11/h3-4,12H,1-2,11H2
InChIKeyRWSBYJCYOKCTOS-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)-3,5-difluorophenol?
The IUPAC name of 4-(2-aminoethyl)-3,5-difluorophenol (CID 44578415) is 4-(2-aminoethyl)-3,5-difluorophenol.
What is the SMILES notation for 4-(2-aminoethyl)-3,5-difluorophenol?
The canonical SMILES for 4-(2-aminoethyl)-3,5-difluorophenol is NCCc1c(F)cc(O)cc1F.
What is the InChIKey of 4-(2-aminoethyl)-3,5-difluorophenol?
The InChIKey is RWSBYJCYOKCTOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2NO/c9-7-3-5(12)4-8(10)6(7)1-2-11/h3-4,12H,1-2,11H2.
What are the key properties of 4-(2-aminoethyl)-3,5-difluorophenol?
4-(2-aminoethyl)-3,5-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)-3,5-difluorophenol is sourced from PubChem (CID 44578415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).