6-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinoline

C16H14F3N — CID 12001117

IUPAC6-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinoline
SMILESFC(F)(F)c1ccc(-c2ccc3c(c2)CCCN3)cc1
InChIInChI=1S/C16H14F3N/c17-16(18,19)14-6-3-11(4-7-14)12-5-8-15-13(10-12)2-1-9-20-15/h3-8,10,20H,1-2,9H2
InChIKeyLUVYCRMVKRABJK-UHFFFAOYSA-N
MW277.29 g/mol
LogP4.73
Rot. Bonds1

About 6-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinoline

6-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinoline (PubChem CID 12001117) has the molecular formula C16H14F3N and a molecular weight of 277.29 g/mol. Its IUPAC name is 6-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name6-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinoline
PubChem CID12001117
Molecular FormulaC16H14F3N
Molecular Weight277.29 g/mol
Exact Mass277.11
IUPAC Name6-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinoline
SMILESFC(F)(F)c1ccc(-c2ccc3c(c2)CCCN3)cc1
InChIInChI=1S/C16H14F3N/c17-16(18,19)14-6-3-11(4-7-14)12-5-8-15-13(10-12)2-1-9-20-15/h3-8,10,20H,1-2,9H2
InChIKeyLUVYCRMVKRABJK-UHFFFAOYSA-N
XLogP4.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 6-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinoline (CID 12001117) is 6-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 6-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 6-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinoline is FC(F)(F)c1ccc(-c2ccc3c(c2)CCCN3)cc1.
What is the InChIKey of 6-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinoline?
The InChIKey is LUVYCRMVKRABJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N/c17-16(18,19)14-6-3-11(4-7-14)12-5-8-15-13(10-12)2-1-9-20-15/h3-8,10,20H,1-2,9H2.
What are the key properties of 6-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinoline?
6-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinoline has a molecular weight of 277.29 g/mol, XLogP of 4.73, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 12001117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).