2-(2-amino-3-hydroxypropyl)-6-chloro-4-fluorophenol

C9H11ClFNO2 — CID 130989106

IUPAC2-(2-amino-3-hydroxypropyl)-6-chloro-4-fluorophenol
SMILESNC(CO)Cc1cc(F)cc(Cl)c1O
InChIInChI=1S/C9H11ClFNO2/c10-8-3-6(11)1-5(9(8)14)2-7(12)4-13/h1,3,7,13-14H,2,4,12H2
InChIKeyTVJVHOUQPYXURT-UHFFFAOYSA-N
MW219.64 g/mol
LogP1.05
Rot. Bonds3

About 2-(2-amino-3-hydroxypropyl)-6-chloro-4-fluorophenol

2-(2-amino-3-hydroxypropyl)-6-chloro-4-fluorophenol (PubChem CID 130989106) has the molecular formula C9H11ClFNO2 and a molecular weight of 219.64 g/mol. Its IUPAC name is 2-(2-amino-3-hydroxypropyl)-6-chloro-4-fluorophenol.

Molecular Properties

Compound Name2-(2-amino-3-hydroxypropyl)-6-chloro-4-fluorophenol
PubChem CID130989106
Molecular FormulaC9H11ClFNO2
Molecular Weight219.64 g/mol
Exact Mass219.05
IUPAC Name2-(2-amino-3-hydroxypropyl)-6-chloro-4-fluorophenol
SMILESNC(CO)Cc1cc(F)cc(Cl)c1O
InChIInChI=1S/C9H11ClFNO2/c10-8-3-6(11)1-5(9(8)14)2-7(12)4-13/h1,3,7,13-14H,2,4,12H2
InChIKeyTVJVHOUQPYXURT-UHFFFAOYSA-N
XLogP1.05
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.64
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-3-hydroxypropyl)-6-chloro-4-fluorophenol?
The IUPAC name of 2-(2-amino-3-hydroxypropyl)-6-chloro-4-fluorophenol (CID 130989106) is 2-(2-amino-3-hydroxypropyl)-6-chloro-4-fluorophenol.
What is the SMILES notation for 2-(2-amino-3-hydroxypropyl)-6-chloro-4-fluorophenol?
The canonical SMILES for 2-(2-amino-3-hydroxypropyl)-6-chloro-4-fluorophenol is NC(CO)Cc1cc(F)cc(Cl)c1O.
What is the InChIKey of 2-(2-amino-3-hydroxypropyl)-6-chloro-4-fluorophenol?
The InChIKey is TVJVHOUQPYXURT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClFNO2/c10-8-3-6(11)1-5(9(8)14)2-7(12)4-13/h1,3,7,13-14H,2,4,12H2.
What are the key properties of 2-(2-amino-3-hydroxypropyl)-6-chloro-4-fluorophenol?
2-(2-amino-3-hydroxypropyl)-6-chloro-4-fluorophenol has a molecular weight of 219.64 g/mol, XLogP of 1.05, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-3-hydroxypropyl)-6-chloro-4-fluorophenol is sourced from PubChem (CID 130989106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).