7-chloro-8-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline

C10H9ClF3N — CID 70470516

IUPAC7-chloro-8-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline
SMILESFC(F)(F)c1c(Cl)ccc2c1NCCC2
InChIInChI=1S/C10H9ClF3N/c11-7-4-3-6-2-1-5-15-9(6)8(7)10(12,13)14/h3-4,15H,1-2,5H2
InChIKeyCXGUSSAAQYPMTH-UHFFFAOYSA-N
MW235.64 g/mol
LogP3.72
Rot. Bonds

About 7-chloro-8-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline

7-chloro-8-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline (PubChem CID 70470516) has the molecular formula C10H9ClF3N and a molecular weight of 235.64 g/mol. Its IUPAC name is 7-chloro-8-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name7-chloro-8-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline
PubChem CID70470516
Molecular FormulaC10H9ClF3N
Molecular Weight235.64 g/mol
Exact Mass235.04
IUPAC Name7-chloro-8-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline
SMILESFC(F)(F)c1c(Cl)ccc2c1NCCC2
InChIInChI=1S/C10H9ClF3N/c11-7-4-3-6-2-1-5-15-9(6)8(7)10(12,13)14/h3-4,15H,1-2,5H2
InChIKeyCXGUSSAAQYPMTH-UHFFFAOYSA-N
XLogP3.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.64
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-8-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 7-chloro-8-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline (CID 70470516) is 7-chloro-8-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 7-chloro-8-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 7-chloro-8-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline is FC(F)(F)c1c(Cl)ccc2c1NCCC2.
What is the InChIKey of 7-chloro-8-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline?
The InChIKey is CXGUSSAAQYPMTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF3N/c11-7-4-3-6-2-1-5-15-9(6)8(7)10(12,13)14/h3-4,15H,1-2,5H2.
What are the key properties of 7-chloro-8-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline?
7-chloro-8-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline has a molecular weight of 235.64 g/mol, XLogP of 3.72, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-8-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 70470516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).