4-(trifluoromethyl)-1,4,5,6,7,8-hexahydroquinoline

C10H12F3N — CID 134963507

IUPAC4-(trifluoromethyl)-1,4,5,6,7,8-hexahydroquinoline
SMILESFC(F)(F)C1C=CNC2=C1CCCC2
InChIInChI=1S/C10H12F3N/c11-10(12,13)8-5-6-14-9-4-2-1-3-7(8)9/h5-6,8,14H,1-4H2
InChIKeyRICHQYYOYOWEDK-UHFFFAOYSA-N
MW203.21 g/mol
LogP3.11
Rot. Bonds

About 4-(trifluoromethyl)-1,4,5,6,7,8-hexahydroquinoline

4-(trifluoromethyl)-1,4,5,6,7,8-hexahydroquinoline (PubChem CID 134963507) has the molecular formula C10H12F3N and a molecular weight of 203.21 g/mol. Its IUPAC name is 4-(trifluoromethyl)-1,4,5,6,7,8-hexahydroquinoline.

Molecular Properties

Compound Name4-(trifluoromethyl)-1,4,5,6,7,8-hexahydroquinoline
PubChem CID134963507
Molecular FormulaC10H12F3N
Molecular Weight203.21 g/mol
Exact Mass203.09
IUPAC Name4-(trifluoromethyl)-1,4,5,6,7,8-hexahydroquinoline
SMILESFC(F)(F)C1C=CNC2=C1CCCC2
InChIInChI=1S/C10H12F3N/c11-10(12,13)8-5-6-14-9-4-2-1-3-7(8)9/h5-6,8,14H,1-4H2
InChIKeyRICHQYYOYOWEDK-UHFFFAOYSA-N
XLogP3.11
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 ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)-1,4,5,6,7,8-hexahydroquinoline?
The IUPAC name of 4-(trifluoromethyl)-1,4,5,6,7,8-hexahydroquinoline (CID 134963507) is 4-(trifluoromethyl)-1,4,5,6,7,8-hexahydroquinoline.
What is the SMILES notation for 4-(trifluoromethyl)-1,4,5,6,7,8-hexahydroquinoline?
The canonical SMILES for 4-(trifluoromethyl)-1,4,5,6,7,8-hexahydroquinoline is FC(F)(F)C1C=CNC2=C1CCCC2.
What is the InChIKey of 4-(trifluoromethyl)-1,4,5,6,7,8-hexahydroquinoline?
The InChIKey is RICHQYYOYOWEDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N/c11-10(12,13)8-5-6-14-9-4-2-1-3-7(8)9/h5-6,8,14H,1-4H2.
What are the key properties of 4-(trifluoromethyl)-1,4,5,6,7,8-hexahydroquinoline?
4-(trifluoromethyl)-1,4,5,6,7,8-hexahydroquinoline has a molecular weight of 203.21 g/mol, XLogP of 3.11, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)-1,4,5,6,7,8-hexahydroquinoline is sourced from PubChem (CID 134963507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).