6-chloro-2-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline

C10H9ClF3N — CID 21445338

IUPAC6-chloro-2-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline
SMILESFC(F)(F)C1CCc2cc(Cl)ccc2N1
InChIInChI=1S/C10H9ClF3N/c11-7-2-3-8-6(5-7)1-4-9(15-8)10(12,13)14/h2-3,5,9,15H,1,4H2
InChIKeyBJOLLSWGKRMWIL-UHFFFAOYSA-N
MW235.64 g/mol
LogP3.63
Rot. Bonds

About 6-chloro-2-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline

6-chloro-2-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline (PubChem CID 21445338) has the molecular formula C10H9ClF3N and a molecular weight of 235.64 g/mol. Its IUPAC name is 6-chloro-2-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name6-chloro-2-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline
PubChem CID21445338
Molecular FormulaC10H9ClF3N
Molecular Weight235.64 g/mol
Exact Mass235.04
IUPAC Name6-chloro-2-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline
SMILESFC(F)(F)C1CCc2cc(Cl)ccc2N1
InChIInChI=1S/C10H9ClF3N/c11-7-2-3-8-6(5-7)1-4-9(15-8)10(12,13)14/h2-3,5,9,15H,1,4H2
InChIKeyBJOLLSWGKRMWIL-UHFFFAOYSA-N
XLogP3.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.64
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 6-chloro-2-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline (CID 21445338) is 6-chloro-2-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 6-chloro-2-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 6-chloro-2-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline is FC(F)(F)C1CCc2cc(Cl)ccc2N1.
What is the InChIKey of 6-chloro-2-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline?
The InChIKey is BJOLLSWGKRMWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF3N/c11-7-2-3-8-6(5-7)1-4-9(15-8)10(12,13)14/h2-3,5,9,15H,1,4H2.
What are the key properties of 6-chloro-2-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline?
6-chloro-2-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline has a molecular weight of 235.64 g/mol, XLogP of 3.63, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 21445338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).