3-(trifluoromethyl)-5,6,7,8,9,10-hexahydrocyclohepta[b]quinolin-11-one

C15H14F3NO — CID 29270

IUPAC3-(trifluoromethyl)-5,6,7,8,9,10-hexahydrocyclohepta[b]quinolin-11-one
SMILESO=c1c2c([nH]c3cc(C(F)(F)F)ccc13)CCCCC2
InChIInChI=1S/C15H14F3NO/c16-15(17,18)9-6-7-11-13(8-9)19-12-5-3-1-2-4-10(12)14(11)20/h6-8H,1-5H2,(H,19,20)
InChIKeyWTAYGPWOLMJSHX-UHFFFAOYSA-N
MW281.28 g/mol
LogP3.82
Rot. Bonds

About 3-(trifluoromethyl)-5,6,7,8,9,10-hexahydrocyclohepta[b]quinolin-11-one

3-(trifluoromethyl)-5,6,7,8,9,10-hexahydrocyclohepta[b]quinolin-11-one (PubChem CID 29270) has the molecular formula C15H14F3NO and a molecular weight of 281.28 g/mol. Its IUPAC name is 3-(trifluoromethyl)-5,6,7,8,9,10-hexahydrocyclohepta[b]quinolin-11-one.

Molecular Properties

Compound Name3-(trifluoromethyl)-5,6,7,8,9,10-hexahydrocyclohepta[b]quinolin-11-one
PubChem CID29270
Molecular FormulaC15H14F3NO
Molecular Weight281.28 g/mol
Exact Mass281.10
IUPAC Name3-(trifluoromethyl)-5,6,7,8,9,10-hexahydrocyclohepta[b]quinolin-11-one
SMILESO=c1c2c([nH]c3cc(C(F)(F)F)ccc13)CCCCC2
InChIInChI=1S/C15H14F3NO/c16-15(17,18)9-6-7-11-13(8-9)19-12-5-3-1-2-4-10(12)14(11)20/h6-8H,1-5H2,(H,19,20)
InChIKeyWTAYGPWOLMJSHX-UHFFFAOYSA-N
XLogP3.82
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)-5,6,7,8,9,10-hexahydrocyclohepta[b]quinolin-11-one?
The IUPAC name of 3-(trifluoromethyl)-5,6,7,8,9,10-hexahydrocyclohepta[b]quinolin-11-one (CID 29270) is 3-(trifluoromethyl)-5,6,7,8,9,10-hexahydrocyclohepta[b]quinolin-11-one.
What is the SMILES notation for 3-(trifluoromethyl)-5,6,7,8,9,10-hexahydrocyclohepta[b]quinolin-11-one?
The canonical SMILES for 3-(trifluoromethyl)-5,6,7,8,9,10-hexahydrocyclohepta[b]quinolin-11-one is O=c1c2c([nH]c3cc(C(F)(F)F)ccc13)CCCCC2.
What is the InChIKey of 3-(trifluoromethyl)-5,6,7,8,9,10-hexahydrocyclohepta[b]quinolin-11-one?
The InChIKey is WTAYGPWOLMJSHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO/c16-15(17,18)9-6-7-11-13(8-9)19-12-5-3-1-2-4-10(12)14(11)20/h6-8H,1-5H2,(H,19,20).
What are the key properties of 3-(trifluoromethyl)-5,6,7,8,9,10-hexahydrocyclohepta[b]quinolin-11-one?
3-(trifluoromethyl)-5,6,7,8,9,10-hexahydrocyclohepta[b]quinolin-11-one has a molecular weight of 281.28 g/mol, XLogP of 3.82, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)-5,6,7,8,9,10-hexahydrocyclohepta[b]quinolin-11-one is sourced from PubChem (CID 29270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).