4-[4-(aminomethyl)-1,3-dioxolan-2-yl]-2-fluorophenol

C10H12FNO3 — CID 107693894

IUPAC4-[4-(aminomethyl)-1,3-dioxolan-2-yl]-2-fluorophenol
SMILESNCC1COC(c2ccc(O)c(F)c2)O1
InChIInChI=1S/C10H12FNO3/c11-8-3-6(1-2-9(8)13)10-14-5-7(4-12)15-10/h1-3,7,10,13H,4-5,12H2
InChIKeyNEUDHPXNLIAWGN-UHFFFAOYSA-N
MW213.21 g/mol
LogP0.90
Rot. Bonds2

About 4-[4-(aminomethyl)-1,3-dioxolan-2-yl]-2-fluorophenol

4-[4-(aminomethyl)-1,3-dioxolan-2-yl]-2-fluorophenol (PubChem CID 107693894) has the molecular formula C10H12FNO3 and a molecular weight of 213.21 g/mol. Its IUPAC name is 4-[4-(aminomethyl)-1,3-dioxolan-2-yl]-2-fluorophenol.

Molecular Properties

Compound Name4-[4-(aminomethyl)-1,3-dioxolan-2-yl]-2-fluorophenol
PubChem CID107693894
Molecular FormulaC10H12FNO3
Molecular Weight213.21 g/mol
Exact Mass213.08
IUPAC Name4-[4-(aminomethyl)-1,3-dioxolan-2-yl]-2-fluorophenol
SMILESNCC1COC(c2ccc(O)c(F)c2)O1
InChIInChI=1S/C10H12FNO3/c11-8-3-6(1-2-9(8)13)10-14-5-7(4-12)15-10/h1-3,7,10,13H,4-5,12H2
InChIKeyNEUDHPXNLIAWGN-UHFFFAOYSA-N
XLogP0.90
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.21
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[4-(aminomethyl)-1,3-dioxolan-2-yl]-2-fluorophenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-(aminomethyl)-1,3-dioxolan-2-yl]-2-fluorophenol?
The IUPAC name of 4-[4-(aminomethyl)-1,3-dioxolan-2-yl]-2-fluorophenol (CID 107693894) is 4-[4-(aminomethyl)-1,3-dioxolan-2-yl]-2-fluorophenol.
What is the SMILES notation for 4-[4-(aminomethyl)-1,3-dioxolan-2-yl]-2-fluorophenol?
The canonical SMILES for 4-[4-(aminomethyl)-1,3-dioxolan-2-yl]-2-fluorophenol is NCC1COC(c2ccc(O)c(F)c2)O1.
What is the InChIKey of 4-[4-(aminomethyl)-1,3-dioxolan-2-yl]-2-fluorophenol?
The InChIKey is NEUDHPXNLIAWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO3/c11-8-3-6(1-2-9(8)13)10-14-5-7(4-12)15-10/h1-3,7,10,13H,4-5,12H2.
What are the key properties of 4-[4-(aminomethyl)-1,3-dioxolan-2-yl]-2-fluorophenol?
4-[4-(aminomethyl)-1,3-dioxolan-2-yl]-2-fluorophenol has a molecular weight of 213.21 g/mol, XLogP of 0.90, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(aminomethyl)-1,3-dioxolan-2-yl]-2-fluorophenol is sourced from PubChem (CID 107693894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).