2-(trifluoromethyl)-2,3,4,5-tetrahydro-1H-pyrido[2,3-d]azepine

C10H11F3N2 — CID 69023965

IUPAC2-(trifluoromethyl)-2,3,4,5-tetrahydro-1H-pyrido[2,3-d]azepine
SMILESFC(F)(F)C1CCC2=C(C=CN=CC2)N1
InChIInChI=1S/C10H11F3N2/c11-10(12,13)9-2-1-7-3-5-14-6-4-8(7)15-9/h4-6,9,15H,1-3H2
InChIKeyKZPVFRXELIZBRA-UHFFFAOYSA-N
MW216.21 g/mol
LogP2.54
Rot. Bonds

About 2-(trifluoromethyl)-2,3,4,5-tetrahydro-1H-pyrido[2,3-d]azepine

2-(trifluoromethyl)-2,3,4,5-tetrahydro-1H-pyrido[2,3-d]azepine (PubChem CID 69023965) has the molecular formula C10H11F3N2 and a molecular weight of 216.21 g/mol. Its IUPAC name is 2-(trifluoromethyl)-2,3,4,5-tetrahydro-1H-pyrido[2,3-d]azepine.

Molecular Properties

Compound Name2-(trifluoromethyl)-2,3,4,5-tetrahydro-1H-pyrido[2,3-d]azepine
PubChem CID69023965
Molecular FormulaC10H11F3N2
Molecular Weight216.21 g/mol
Exact Mass216.09
IUPAC Name2-(trifluoromethyl)-2,3,4,5-tetrahydro-1H-pyrido[2,3-d]azepine
SMILESFC(F)(F)C1CCC2=C(C=CN=CC2)N1
InChIInChI=1S/C10H11F3N2/c11-10(12,13)9-2-1-7-3-5-14-6-4-8(7)15-9/h4-6,9,15H,1-3H2
InChIKeyKZPVFRXELIZBRA-UHFFFAOYSA-N
XLogP2.54
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.21
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-2,3,4,5-tetrahydro-1H-pyrido[2,3-d]azepine?
The IUPAC name of 2-(trifluoromethyl)-2,3,4,5-tetrahydro-1H-pyrido[2,3-d]azepine (CID 69023965) is 2-(trifluoromethyl)-2,3,4,5-tetrahydro-1H-pyrido[2,3-d]azepine.
What is the SMILES notation for 2-(trifluoromethyl)-2,3,4,5-tetrahydro-1H-pyrido[2,3-d]azepine?
The canonical SMILES for 2-(trifluoromethyl)-2,3,4,5-tetrahydro-1H-pyrido[2,3-d]azepine is FC(F)(F)C1CCC2=C(C=CN=CC2)N1.
What is the InChIKey of 2-(trifluoromethyl)-2,3,4,5-tetrahydro-1H-pyrido[2,3-d]azepine?
The InChIKey is KZPVFRXELIZBRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2/c11-10(12,13)9-2-1-7-3-5-14-6-4-8(7)15-9/h4-6,9,15H,1-3H2.
What are the key properties of 2-(trifluoromethyl)-2,3,4,5-tetrahydro-1H-pyrido[2,3-d]azepine?
2-(trifluoromethyl)-2,3,4,5-tetrahydro-1H-pyrido[2,3-d]azepine has a molecular weight of 216.21 g/mol, XLogP of 2.54, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-2,3,4,5-tetrahydro-1H-pyrido[2,3-d]azepine is sourced from PubChem (CID 69023965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).