3-(aminomethyl)-2,6-difluorophenol

C7H7F2NO — CID 10351955

IUPAC3-(aminomethyl)-2,6-difluorophenol
SMILESNCc1ccc(F)c(O)c1F
InChIInChI=1S/C7H7F2NO/c8-5-2-1-4(3-10)6(9)7(5)11/h1-2,11H,3,10H2
InChIKeyARLSXSJLCYMMDM-UHFFFAOYSA-N
MW159.13 g/mol
LogP1.13
Rot. Bonds1

About 3-(aminomethyl)-2,6-difluorophenol

3-(aminomethyl)-2,6-difluorophenol (PubChem CID 10351955) has the molecular formula C7H7F2NO and a molecular weight of 159.13 g/mol. Its IUPAC name is 3-(aminomethyl)-2,6-difluorophenol.

Molecular Properties

Compound Name3-(aminomethyl)-2,6-difluorophenol
PubChem CID10351955
Molecular FormulaC7H7F2NO
Molecular Weight159.13 g/mol
Exact Mass159.05
IUPAC Name3-(aminomethyl)-2,6-difluorophenol
SMILESNCc1ccc(F)c(O)c1F
InChIInChI=1S/C7H7F2NO/c8-5-2-1-4(3-10)6(9)7(5)11/h1-2,11H,3,10H2
InChIKeyARLSXSJLCYMMDM-UHFFFAOYSA-N
XLogP1.13
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.13
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-2,6-difluorophenol?
The IUPAC name of 3-(aminomethyl)-2,6-difluorophenol (CID 10351955) is 3-(aminomethyl)-2,6-difluorophenol.
What is the SMILES notation for 3-(aminomethyl)-2,6-difluorophenol?
The canonical SMILES for 3-(aminomethyl)-2,6-difluorophenol is NCc1ccc(F)c(O)c1F.
What is the InChIKey of 3-(aminomethyl)-2,6-difluorophenol?
The InChIKey is ARLSXSJLCYMMDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F2NO/c8-5-2-1-4(3-10)6(9)7(5)11/h1-2,11H,3,10H2.
What are the key properties of 3-(aminomethyl)-2,6-difluorophenol?
3-(aminomethyl)-2,6-difluorophenol has a molecular weight of 159.13 g/mol, XLogP of 1.13, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-2,6-difluorophenol is sourced from PubChem (CID 10351955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).