8-chloro-6-(trifluoromethyl)-4aH-quinolin-4-one

C10H5ClF3NO — CID 71304086

IUPAC8-chloro-6-(trifluoromethyl)-4aH-quinolin-4-one
SMILESO=C1C=CN=C2C(Cl)=CC(C(F)(F)F)=CC12
InChIInChI=1S/C10H5ClF3NO/c11-7-4-5(10(12,13)14)3-6-8(16)1-2-15-9(6)7/h1-4,6H
InChIKeyWQPXZCGCSHRXPJ-UHFFFAOYSA-N
MW247.60 g/mol
LogP2.77
Rot. Bonds

About 8-chloro-6-(trifluoromethyl)-4aH-quinolin-4-one

8-chloro-6-(trifluoromethyl)-4aH-quinolin-4-one (PubChem CID 71304086) has the molecular formula C10H5ClF3NO and a molecular weight of 247.60 g/mol. Its IUPAC name is 8-chloro-6-(trifluoromethyl)-4aH-quinolin-4-one.

Molecular Properties

Compound Name8-chloro-6-(trifluoromethyl)-4aH-quinolin-4-one
PubChem CID71304086
Molecular FormulaC10H5ClF3NO
Molecular Weight247.60 g/mol
Exact Mass247.00
IUPAC Name8-chloro-6-(trifluoromethyl)-4aH-quinolin-4-one
SMILESO=C1C=CN=C2C(Cl)=CC(C(F)(F)F)=CC12
InChIInChI=1S/C10H5ClF3NO/c11-7-4-5(10(12,13)14)3-6-8(16)1-2-15-9(6)7/h1-4,6H
InChIKeyWQPXZCGCSHRXPJ-UHFFFAOYSA-N
XLogP2.77
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.60
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-6-(trifluoromethyl)-4aH-quinolin-4-one?
The IUPAC name of 8-chloro-6-(trifluoromethyl)-4aH-quinolin-4-one (CID 71304086) is 8-chloro-6-(trifluoromethyl)-4aH-quinolin-4-one.
What is the SMILES notation for 8-chloro-6-(trifluoromethyl)-4aH-quinolin-4-one?
The canonical SMILES for 8-chloro-6-(trifluoromethyl)-4aH-quinolin-4-one is O=C1C=CN=C2C(Cl)=CC(C(F)(F)F)=CC12.
What is the InChIKey of 8-chloro-6-(trifluoromethyl)-4aH-quinolin-4-one?
The InChIKey is WQPXZCGCSHRXPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClF3NO/c11-7-4-5(10(12,13)14)3-6-8(16)1-2-15-9(6)7/h1-4,6H.
What are the key properties of 8-chloro-6-(trifluoromethyl)-4aH-quinolin-4-one?
8-chloro-6-(trifluoromethyl)-4aH-quinolin-4-one has a molecular weight of 247.60 g/mol, XLogP of 2.77, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-6-(trifluoromethyl)-4aH-quinolin-4-one is sourced from PubChem (CID 71304086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).