6-(trifluoromethyl)-2,3,4,8-tetrahydro-1H-cyclohepta[c]pyridine

C11H12F3N — CID 143266169

IUPAC6-(trifluoromethyl)-2,3,4,8-tetrahydro-1H-cyclohepta[c]pyridine
SMILESFC(F)(F)C1=CCC=C2CNCCC2=C1
InChIInChI=1S/C11H12F3N/c12-11(13,14)10-3-1-2-9-7-15-5-4-8(9)6-10/h2-3,6,15H,1,4-5,7H2
InChIKeyUGPROIXVGIVYTB-UHFFFAOYSA-N
MW215.22 g/mol
LogP2.72
Rot. Bonds

About 6-(trifluoromethyl)-2,3,4,8-tetrahydro-1H-cyclohepta[c]pyridine

6-(trifluoromethyl)-2,3,4,8-tetrahydro-1H-cyclohepta[c]pyridine (PubChem CID 143266169) has the molecular formula C11H12F3N and a molecular weight of 215.22 g/mol. Its IUPAC name is 6-(trifluoromethyl)-2,3,4,8-tetrahydro-1H-cyclohepta[c]pyridine.

Molecular Properties

Compound Name6-(trifluoromethyl)-2,3,4,8-tetrahydro-1H-cyclohepta[c]pyridine
PubChem CID143266169
Molecular FormulaC11H12F3N
Molecular Weight215.22 g/mol
Exact Mass215.09
IUPAC Name6-(trifluoromethyl)-2,3,4,8-tetrahydro-1H-cyclohepta[c]pyridine
SMILESFC(F)(F)C1=CCC=C2CNCCC2=C1
InChIInChI=1S/C11H12F3N/c12-11(13,14)10-3-1-2-9-7-15-5-4-8(9)6-10/h2-3,6,15H,1,4-5,7H2
InChIKeyUGPROIXVGIVYTB-UHFFFAOYSA-N
XLogP2.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.22
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethyl)-2,3,4,8-tetrahydro-1H-cyclohepta[c]pyridine?
The IUPAC name of 6-(trifluoromethyl)-2,3,4,8-tetrahydro-1H-cyclohepta[c]pyridine (CID 143266169) is 6-(trifluoromethyl)-2,3,4,8-tetrahydro-1H-cyclohepta[c]pyridine.
What is the SMILES notation for 6-(trifluoromethyl)-2,3,4,8-tetrahydro-1H-cyclohepta[c]pyridine?
The canonical SMILES for 6-(trifluoromethyl)-2,3,4,8-tetrahydro-1H-cyclohepta[c]pyridine is FC(F)(F)C1=CCC=C2CNCCC2=C1.
What is the InChIKey of 6-(trifluoromethyl)-2,3,4,8-tetrahydro-1H-cyclohepta[c]pyridine?
The InChIKey is UGPROIXVGIVYTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N/c12-11(13,14)10-3-1-2-9-7-15-5-4-8(9)6-10/h2-3,6,15H,1,4-5,7H2.
What are the key properties of 6-(trifluoromethyl)-2,3,4,8-tetrahydro-1H-cyclohepta[c]pyridine?
6-(trifluoromethyl)-2,3,4,8-tetrahydro-1H-cyclohepta[c]pyridine has a molecular weight of 215.22 g/mol, XLogP of 2.72, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethyl)-2,3,4,8-tetrahydro-1H-cyclohepta[c]pyridine is sourced from PubChem (CID 143266169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).