2-amino-2-[(4-fluorophenyl)methoxymethyl]propane-1,3-diol

C11H16FNO3 — CID 830696

IUPAC2-amino-2-[(4-fluorophenyl)methoxymethyl]propane-1,3-diol
SMILESNC(CO)(CO)COCc1ccc(F)cc1
InChIInChI=1S/C11H16FNO3/c12-10-3-1-9(2-4-10)5-16-8-11(13,6-14)7-15/h1-4,14-15H,5-8,13H2
InChIKeyFBNNXDAEZFYQOC-UHFFFAOYSA-N
MW229.25 g/mol
LogP0.02
Rot. Bonds6

About 2-amino-2-[(4-fluorophenyl)methoxymethyl]propane-1,3-diol

2-amino-2-[(4-fluorophenyl)methoxymethyl]propane-1,3-diol (PubChem CID 830696) has the molecular formula C11H16FNO3 and a molecular weight of 229.25 g/mol. Its IUPAC name is 2-amino-2-[(4-fluorophenyl)methoxymethyl]propane-1,3-diol.

Molecular Properties

Compound Name2-amino-2-[(4-fluorophenyl)methoxymethyl]propane-1,3-diol
PubChem CID830696
Molecular FormulaC11H16FNO3
Molecular Weight229.25 g/mol
Exact Mass229.11
IUPAC Name2-amino-2-[(4-fluorophenyl)methoxymethyl]propane-1,3-diol
SMILESNC(CO)(CO)COCc1ccc(F)cc1
InChIInChI=1S/C11H16FNO3/c12-10-3-1-9(2-4-10)5-16-8-11(13,6-14)7-15/h1-4,14-15H,5-8,13H2
InChIKeyFBNNXDAEZFYQOC-UHFFFAOYSA-N
XLogP0.02
TPSA75.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.25
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[(4-fluorophenyl)methoxymethyl]propane-1,3-diol?
The IUPAC name of 2-amino-2-[(4-fluorophenyl)methoxymethyl]propane-1,3-diol (CID 830696) is 2-amino-2-[(4-fluorophenyl)methoxymethyl]propane-1,3-diol.
What is the SMILES notation for 2-amino-2-[(4-fluorophenyl)methoxymethyl]propane-1,3-diol?
The canonical SMILES for 2-amino-2-[(4-fluorophenyl)methoxymethyl]propane-1,3-diol is NC(CO)(CO)COCc1ccc(F)cc1.
What is the InChIKey of 2-amino-2-[(4-fluorophenyl)methoxymethyl]propane-1,3-diol?
The InChIKey is FBNNXDAEZFYQOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO3/c12-10-3-1-9(2-4-10)5-16-8-11(13,6-14)7-15/h1-4,14-15H,5-8,13H2.
What are the key properties of 2-amino-2-[(4-fluorophenyl)methoxymethyl]propane-1,3-diol?
2-amino-2-[(4-fluorophenyl)methoxymethyl]propane-1,3-diol has a molecular weight of 229.25 g/mol, XLogP of 0.02, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[(4-fluorophenyl)methoxymethyl]propane-1,3-diol is sourced from PubChem (CID 830696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).