3,7,8-trifluoro-4-(hydroxymethyl)-1H-quinolin-2-one

C10H6F3NO2 — CID 171473819

IUPAC3,7,8-trifluoro-4-(hydroxymethyl)-1H-quinolin-2-one
SMILESO=c1[nH]c2c(F)c(F)ccc2c(CO)c1F
InChIInChI=1S/C10H6F3NO2/c11-6-2-1-4-5(3-15)7(12)10(16)14-9(4)8(6)13/h1-2,15H,3H2,(H,14,16)
InChIKeyGZCHUFLTTYVYAI-UHFFFAOYSA-N
MW229.16 g/mol
LogP1.44
Rot. Bonds1

About 3,7,8-trifluoro-4-(hydroxymethyl)-1H-quinolin-2-one

3,7,8-trifluoro-4-(hydroxymethyl)-1H-quinolin-2-one (PubChem CID 171473819) has the molecular formula C10H6F3NO2 and a molecular weight of 229.16 g/mol. Its IUPAC name is 3,7,8-trifluoro-4-(hydroxymethyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name3,7,8-trifluoro-4-(hydroxymethyl)-1H-quinolin-2-one
PubChem CID171473819
Molecular FormulaC10H6F3NO2
Molecular Weight229.16 g/mol
Exact Mass229.04
IUPAC Name3,7,8-trifluoro-4-(hydroxymethyl)-1H-quinolin-2-one
SMILESO=c1[nH]c2c(F)c(F)ccc2c(CO)c1F
InChIInChI=1S/C10H6F3NO2/c11-6-2-1-4-5(3-15)7(12)10(16)14-9(4)8(6)13/h1-2,15H,3H2,(H,14,16)
InChIKeyGZCHUFLTTYVYAI-UHFFFAOYSA-N
XLogP1.44
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.16
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,7,8-trifluoro-4-(hydroxymethyl)-1H-quinolin-2-one?
The IUPAC name of 3,7,8-trifluoro-4-(hydroxymethyl)-1H-quinolin-2-one (CID 171473819) is 3,7,8-trifluoro-4-(hydroxymethyl)-1H-quinolin-2-one.
What is the SMILES notation for 3,7,8-trifluoro-4-(hydroxymethyl)-1H-quinolin-2-one?
The canonical SMILES for 3,7,8-trifluoro-4-(hydroxymethyl)-1H-quinolin-2-one is O=c1[nH]c2c(F)c(F)ccc2c(CO)c1F.
What is the InChIKey of 3,7,8-trifluoro-4-(hydroxymethyl)-1H-quinolin-2-one?
The InChIKey is GZCHUFLTTYVYAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F3NO2/c11-6-2-1-4-5(3-15)7(12)10(16)14-9(4)8(6)13/h1-2,15H,3H2,(H,14,16).
What are the key properties of 3,7,8-trifluoro-4-(hydroxymethyl)-1H-quinolin-2-one?
3,7,8-trifluoro-4-(hydroxymethyl)-1H-quinolin-2-one has a molecular weight of 229.16 g/mol, XLogP of 1.44, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7,8-trifluoro-4-(hydroxymethyl)-1H-quinolin-2-one is sourced from PubChem (CID 171473819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).