3-amino-1-(5-chloro-3-fluoro-2-hydroxyphenyl)propane-1,2-diol

C9H11ClFNO3 — CID 170827993

IUPAC3-amino-1-(5-chloro-3-fluoro-2-hydroxyphenyl)propane-1,2-diol
SMILESNCC(O)C(O)c1cc(Cl)cc(F)c1O
InChIInChI=1S/C9H11ClFNO3/c10-4-1-5(8(14)6(11)2-4)9(15)7(13)3-12/h1-2,7,9,13-15H,3,12H2
InChIKeyFELSCGCBNBNAFJ-UHFFFAOYSA-N
MW235.64 g/mol
LogP0.54
Rot. Bonds3

About 3-amino-1-(5-chloro-3-fluoro-2-hydroxyphenyl)propane-1,2-diol

3-amino-1-(5-chloro-3-fluoro-2-hydroxyphenyl)propane-1,2-diol (PubChem CID 170827993) has the molecular formula C9H11ClFNO3 and a molecular weight of 235.64 g/mol. Its IUPAC name is 3-amino-1-(5-chloro-3-fluoro-2-hydroxyphenyl)propane-1,2-diol.

Molecular Properties

Compound Name3-amino-1-(5-chloro-3-fluoro-2-hydroxyphenyl)propane-1,2-diol
PubChem CID170827993
Molecular FormulaC9H11ClFNO3
Molecular Weight235.64 g/mol
Exact Mass235.04
IUPAC Name3-amino-1-(5-chloro-3-fluoro-2-hydroxyphenyl)propane-1,2-diol
SMILESNCC(O)C(O)c1cc(Cl)cc(F)c1O
InChIInChI=1S/C9H11ClFNO3/c10-4-1-5(8(14)6(11)2-4)9(15)7(13)3-12/h1-2,7,9,13-15H,3,12H2
InChIKeyFELSCGCBNBNAFJ-UHFFFAOYSA-N
XLogP0.54
TPSA86.71 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.64
LogP ≤ 50.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(5-chloro-3-fluoro-2-hydroxyphenyl)propane-1,2-diol?
The IUPAC name of 3-amino-1-(5-chloro-3-fluoro-2-hydroxyphenyl)propane-1,2-diol (CID 170827993) is 3-amino-1-(5-chloro-3-fluoro-2-hydroxyphenyl)propane-1,2-diol.
What is the SMILES notation for 3-amino-1-(5-chloro-3-fluoro-2-hydroxyphenyl)propane-1,2-diol?
The canonical SMILES for 3-amino-1-(5-chloro-3-fluoro-2-hydroxyphenyl)propane-1,2-diol is NCC(O)C(O)c1cc(Cl)cc(F)c1O.
What is the InChIKey of 3-amino-1-(5-chloro-3-fluoro-2-hydroxyphenyl)propane-1,2-diol?
The InChIKey is FELSCGCBNBNAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClFNO3/c10-4-1-5(8(14)6(11)2-4)9(15)7(13)3-12/h1-2,7,9,13-15H,3,12H2.
What are the key properties of 3-amino-1-(5-chloro-3-fluoro-2-hydroxyphenyl)propane-1,2-diol?
3-amino-1-(5-chloro-3-fluoro-2-hydroxyphenyl)propane-1,2-diol has a molecular weight of 235.64 g/mol, XLogP of 0.54, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(5-chloro-3-fluoro-2-hydroxyphenyl)propane-1,2-diol is sourced from PubChem (CID 170827993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).