2-amino-2-(5-bromo-2-fluorophenyl)propane-1,3-diol

C9H11BrFNO2 — CID 66665845

IUPAC2-amino-2-(5-bromo-2-fluorophenyl)propane-1,3-diol
SMILESNC(CO)(CO)c1cc(Br)ccc1F
InChIInChI=1S/C9H11BrFNO2/c10-6-1-2-8(11)7(3-6)9(12,4-13)5-14/h1-3,13-14H,4-5,12H2
InChIKeyLHUKXVXEFRQGNK-UHFFFAOYSA-N
MW264.09 g/mol
LogP0.73
Rot. Bonds3

About 2-amino-2-(5-bromo-2-fluorophenyl)propane-1,3-diol

2-amino-2-(5-bromo-2-fluorophenyl)propane-1,3-diol (PubChem CID 66665845) has the molecular formula C9H11BrFNO2 and a molecular weight of 264.09 g/mol. Its IUPAC name is 2-amino-2-(5-bromo-2-fluorophenyl)propane-1,3-diol.

Molecular Properties

Compound Name2-amino-2-(5-bromo-2-fluorophenyl)propane-1,3-diol
PubChem CID66665845
Molecular FormulaC9H11BrFNO2
Molecular Weight264.09 g/mol
Exact Mass263.00
IUPAC Name2-amino-2-(5-bromo-2-fluorophenyl)propane-1,3-diol
SMILESNC(CO)(CO)c1cc(Br)ccc1F
InChIInChI=1S/C9H11BrFNO2/c10-6-1-2-8(11)7(3-6)9(12,4-13)5-14/h1-3,13-14H,4-5,12H2
InChIKeyLHUKXVXEFRQGNK-UHFFFAOYSA-N
XLogP0.73
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.09
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(5-bromo-2-fluorophenyl)propane-1,3-diol?
The IUPAC name of 2-amino-2-(5-bromo-2-fluorophenyl)propane-1,3-diol (CID 66665845) is 2-amino-2-(5-bromo-2-fluorophenyl)propane-1,3-diol.
What is the SMILES notation for 2-amino-2-(5-bromo-2-fluorophenyl)propane-1,3-diol?
The canonical SMILES for 2-amino-2-(5-bromo-2-fluorophenyl)propane-1,3-diol is NC(CO)(CO)c1cc(Br)ccc1F.
What is the InChIKey of 2-amino-2-(5-bromo-2-fluorophenyl)propane-1,3-diol?
The InChIKey is LHUKXVXEFRQGNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrFNO2/c10-6-1-2-8(11)7(3-6)9(12,4-13)5-14/h1-3,13-14H,4-5,12H2.
What are the key properties of 2-amino-2-(5-bromo-2-fluorophenyl)propane-1,3-diol?
2-amino-2-(5-bromo-2-fluorophenyl)propane-1,3-diol has a molecular weight of 264.09 g/mol, XLogP of 0.73, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(5-bromo-2-fluorophenyl)propane-1,3-diol is sourced from PubChem (CID 66665845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).