6-(trifluoromethyl)-1,2,3,4-tetrahydrocyclopenta[b]quinolin-9-one

C13H10F3NO — CID 53363018

IUPAC6-(trifluoromethyl)-1,2,3,4-tetrahydrocyclopenta[b]quinolin-9-one
SMILESO=c1c2c([nH]c3cc(C(F)(F)F)ccc13)CCC2
InChIInChI=1S/C13H10F3NO/c14-13(15,16)7-4-5-9-11(6-7)17-10-3-1-2-8(10)12(9)18/h4-6H,1-3H2,(H,17,18)
InChIKeyWFMYOWVLTUNEOK-UHFFFAOYSA-N
MW253.22 g/mol
LogP3.04
Rot. Bonds

About 6-(trifluoromethyl)-1,2,3,4-tetrahydrocyclopenta[b]quinolin-9-one

6-(trifluoromethyl)-1,2,3,4-tetrahydrocyclopenta[b]quinolin-9-one (PubChem CID 53363018) has the molecular formula C13H10F3NO and a molecular weight of 253.22 g/mol. Its IUPAC name is 6-(trifluoromethyl)-1,2,3,4-tetrahydrocyclopenta[b]quinolin-9-one.

Molecular Properties

Compound Name6-(trifluoromethyl)-1,2,3,4-tetrahydrocyclopenta[b]quinolin-9-one
PubChem CID53363018
Molecular FormulaC13H10F3NO
Molecular Weight253.22 g/mol
Exact Mass253.07
IUPAC Name6-(trifluoromethyl)-1,2,3,4-tetrahydrocyclopenta[b]quinolin-9-one
SMILESO=c1c2c([nH]c3cc(C(F)(F)F)ccc13)CCC2
InChIInChI=1S/C13H10F3NO/c14-13(15,16)7-4-5-9-11(6-7)17-10-3-1-2-8(10)12(9)18/h4-6H,1-3H2,(H,17,18)
InChIKeyWFMYOWVLTUNEOK-UHFFFAOYSA-N
XLogP3.04
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.22
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethyl)-1,2,3,4-tetrahydrocyclopenta[b]quinolin-9-one?
The IUPAC name of 6-(trifluoromethyl)-1,2,3,4-tetrahydrocyclopenta[b]quinolin-9-one (CID 53363018) is 6-(trifluoromethyl)-1,2,3,4-tetrahydrocyclopenta[b]quinolin-9-one.
What is the SMILES notation for 6-(trifluoromethyl)-1,2,3,4-tetrahydrocyclopenta[b]quinolin-9-one?
The canonical SMILES for 6-(trifluoromethyl)-1,2,3,4-tetrahydrocyclopenta[b]quinolin-9-one is O=c1c2c([nH]c3cc(C(F)(F)F)ccc13)CCC2.
What is the InChIKey of 6-(trifluoromethyl)-1,2,3,4-tetrahydrocyclopenta[b]quinolin-9-one?
The InChIKey is WFMYOWVLTUNEOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3NO/c14-13(15,16)7-4-5-9-11(6-7)17-10-3-1-2-8(10)12(9)18/h4-6H,1-3H2,(H,17,18).
What are the key properties of 6-(trifluoromethyl)-1,2,3,4-tetrahydrocyclopenta[b]quinolin-9-one?
6-(trifluoromethyl)-1,2,3,4-tetrahydrocyclopenta[b]quinolin-9-one has a molecular weight of 253.22 g/mol, XLogP of 3.04, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethyl)-1,2,3,4-tetrahydrocyclopenta[b]quinolin-9-one is sourced from PubChem (CID 53363018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).