6-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-2-one

C10H10F3NO — CID 172563808

IUPAC6-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESO=c1ccc2c([nH]1)CCC(C(F)(F)F)C2
InChIInChI=1S/C10H10F3NO/c11-10(12,13)7-2-3-8-6(5-7)1-4-9(15)14-8/h1,4,7H,2-3,5H2,(H,14,15)
InChIKeyXQZXDAMDXBQTMO-UHFFFAOYSA-N
MW217.19 g/mol
LogP2.04
Rot. Bonds

About 6-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-2-one

6-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-2-one (PubChem CID 172563808) has the molecular formula C10H10F3NO and a molecular weight of 217.19 g/mol. Its IUPAC name is 6-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-2-one
PubChem CID172563808
Molecular FormulaC10H10F3NO
Molecular Weight217.19 g/mol
Exact Mass217.07
IUPAC Name6-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESO=c1ccc2c([nH]1)CCC(C(F)(F)F)C2
InChIInChI=1S/C10H10F3NO/c11-10(12,13)7-2-3-8-6(5-7)1-4-9(15)14-8/h1,4,7H,2-3,5H2,(H,14,15)
InChIKeyXQZXDAMDXBQTMO-UHFFFAOYSA-N
XLogP2.04
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.19
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The IUPAC name of 6-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-2-one (CID 172563808) is 6-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-2-one.
What is the SMILES notation for 6-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The canonical SMILES for 6-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-2-one is O=c1ccc2c([nH]1)CCC(C(F)(F)F)C2.
What is the InChIKey of 6-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The InChIKey is XQZXDAMDXBQTMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO/c11-10(12,13)7-2-3-8-6(5-7)1-4-9(15)14-8/h1,4,7H,2-3,5H2,(H,14,15).
What are the key properties of 6-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-2-one?
6-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-2-one has a molecular weight of 217.19 g/mol, XLogP of 2.04, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-2-one is sourced from PubChem (CID 172563808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).