(5S)-5-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one

C10H10F3NO — CID 164582660

IUPAC(5S)-5-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one
SMILESO=c1cc[nH]c2c1[C@@H](C(F)(F)F)CCC2
InChIInChI=1S/C10H10F3NO/c11-10(12,13)6-2-1-3-7-9(6)8(15)4-5-14-7/h4-6H,1-3H2,(H,14,15)/t6-/m0/s1
InChIKeyXJSABFMTRUSTNR-LURJTMIESA-N
MW217.19 g/mol
LogP2.36
Rot. Bonds

About (5S)-5-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one

(5S)-5-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one (PubChem CID 164582660) has the molecular formula C10H10F3NO and a molecular weight of 217.19 g/mol. Its IUPAC name is (5S)-5-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one.

Molecular Properties

Compound Name(5S)-5-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one
PubChem CID164582660
Molecular FormulaC10H10F3NO
Molecular Weight217.19 g/mol
Exact Mass217.07
IUPAC Name(5S)-5-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one
SMILESO=c1cc[nH]c2c1[C@@H](C(F)(F)F)CCC2
InChIInChI=1S/C10H10F3NO/c11-10(12,13)6-2-1-3-7-9(6)8(15)4-5-14-7/h4-6H,1-3H2,(H,14,15)/t6-/m0/s1
InChIKeyXJSABFMTRUSTNR-LURJTMIESA-N
XLogP2.36
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 ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (5S)-5-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one?
The IUPAC name of (5S)-5-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one (CID 164582660) is (5S)-5-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one.
What is the SMILES notation for (5S)-5-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one?
The canonical SMILES for (5S)-5-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one is O=c1cc[nH]c2c1[C@@H](C(F)(F)F)CCC2.
What is the InChIKey of (5S)-5-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one?
The InChIKey is XJSABFMTRUSTNR-LURJTMIESA-N. The full InChI is InChI=1S/C10H10F3NO/c11-10(12,13)6-2-1-3-7-9(6)8(15)4-5-14-7/h4-6H,1-3H2,(H,14,15)/t6-/m0/s1.
What are the key properties of (5S)-5-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one?
(5S)-5-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one has a molecular weight of 217.19 g/mol, XLogP of 2.36, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one is sourced from PubChem (CID 164582660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).