2-(trifluoromethyl)-1,2,5,6,7,8-hexahydroquinoline

C10H12F3N — CID 134963478

IUPAC2-(trifluoromethyl)-1,2,5,6,7,8-hexahydroquinoline
SMILESFC(F)(F)C1C=CC2=C(CCCC2)N1
InChIInChI=1S/C10H12F3N/c11-10(12,13)9-6-5-7-3-1-2-4-8(7)14-9/h5-6,9,14H,1-4H2
InChIKeyJUEXWLZAIAUGDC-UHFFFAOYSA-N
MW203.21 g/mol
LogP2.90
Rot. Bonds

About 2-(trifluoromethyl)-1,2,5,6,7,8-hexahydroquinoline

2-(trifluoromethyl)-1,2,5,6,7,8-hexahydroquinoline (PubChem CID 134963478) has the molecular formula C10H12F3N and a molecular weight of 203.21 g/mol. Its IUPAC name is 2-(trifluoromethyl)-1,2,5,6,7,8-hexahydroquinoline.

Molecular Properties

Compound Name2-(trifluoromethyl)-1,2,5,6,7,8-hexahydroquinoline
PubChem CID134963478
Molecular FormulaC10H12F3N
Molecular Weight203.21 g/mol
Exact Mass203.09
IUPAC Name2-(trifluoromethyl)-1,2,5,6,7,8-hexahydroquinoline
SMILESFC(F)(F)C1C=CC2=C(CCCC2)N1
InChIInChI=1S/C10H12F3N/c11-10(12,13)9-6-5-7-3-1-2-4-8(7)14-9/h5-6,9,14H,1-4H2
InChIKeyJUEXWLZAIAUGDC-UHFFFAOYSA-N
XLogP2.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.21
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-1,2,5,6,7,8-hexahydroquinoline?
The IUPAC name of 2-(trifluoromethyl)-1,2,5,6,7,8-hexahydroquinoline (CID 134963478) is 2-(trifluoromethyl)-1,2,5,6,7,8-hexahydroquinoline.
What is the SMILES notation for 2-(trifluoromethyl)-1,2,5,6,7,8-hexahydroquinoline?
The canonical SMILES for 2-(trifluoromethyl)-1,2,5,6,7,8-hexahydroquinoline is FC(F)(F)C1C=CC2=C(CCCC2)N1.
What is the InChIKey of 2-(trifluoromethyl)-1,2,5,6,7,8-hexahydroquinoline?
The InChIKey is JUEXWLZAIAUGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N/c11-10(12,13)9-6-5-7-3-1-2-4-8(7)14-9/h5-6,9,14H,1-4H2.
What are the key properties of 2-(trifluoromethyl)-1,2,5,6,7,8-hexahydroquinoline?
2-(trifluoromethyl)-1,2,5,6,7,8-hexahydroquinoline has a molecular weight of 203.21 g/mol, XLogP of 2.90, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-1,2,5,6,7,8-hexahydroquinoline is sourced from PubChem (CID 134963478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).