8-[[3-(trifluoromethyl)phenyl]methyl]-1,2,3,4-tetrahydroquinoline

C17H16F3N — CID 63970552

IUPAC8-[[3-(trifluoromethyl)phenyl]methyl]-1,2,3,4-tetrahydroquinoline
SMILESFC(F)(F)c1cccc(Cc2cccc3c2NCCC3)c1
InChIInChI=1S/C17H16F3N/c18-17(19,20)15-8-1-4-12(11-15)10-14-6-2-5-13-7-3-9-21-16(13)14/h1-2,4-6,8,11,21H,3,7,9-10H2
InChIKeyXFVFWFGFYVBVJG-UHFFFAOYSA-N
MW291.32 g/mol
LogP4.65
Rot. Bonds2

About 8-[[3-(trifluoromethyl)phenyl]methyl]-1,2,3,4-tetrahydroquinoline

8-[[3-(trifluoromethyl)phenyl]methyl]-1,2,3,4-tetrahydroquinoline (PubChem CID 63970552) has the molecular formula C17H16F3N and a molecular weight of 291.32 g/mol. Its IUPAC name is 8-[[3-(trifluoromethyl)phenyl]methyl]-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name8-[[3-(trifluoromethyl)phenyl]methyl]-1,2,3,4-tetrahydroquinoline
PubChem CID63970552
Molecular FormulaC17H16F3N
Molecular Weight291.32 g/mol
Exact Mass291.12
IUPAC Name8-[[3-(trifluoromethyl)phenyl]methyl]-1,2,3,4-tetrahydroquinoline
SMILESFC(F)(F)c1cccc(Cc2cccc3c2NCCC3)c1
InChIInChI=1S/C17H16F3N/c18-17(19,20)15-8-1-4-12(11-15)10-14-6-2-5-13-7-3-9-21-16(13)14/h1-2,4-6,8,11,21H,3,7,9-10H2
InChIKeyXFVFWFGFYVBVJG-UHFFFAOYSA-N
XLogP4.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6,8-dibenzyl-1,2,3,4-tetrahydroquinoline
CID 142306850
8-(cyclopropylmethyl)-1,2,3,4-tetrahydroquinoline
CID 106779417
2,3,4,5-tetrahydro-1H-1-benzazepin-9-ylmethanamine
CID 84655683
2-[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-5,6,7,8-tetrahydrotriazolo[4,5-c]azepin-4-one
CID 156735655
2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine
CID 121010377
1-pyridin-3-yl-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)methanamine
CID 80648841
1-[[3-(trifluoromethyl)phenyl]methyl]-1,3-diazinan-2-one
CID 12678600
8-(piperazin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline
CID 82510182
6-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyridin-2-one
CID 154239731
8-[(4-methylcyclohexyl)methyl]-1,2,3,4-tetrahydroquinoline
CID 64774667
3-[[3-(trifluoromethyl)phenyl]methyl]cyclohept-2-en-1-one
CID 107382752
5-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-2-amine
CID 174685755

Frequently Asked Questions

What is the IUPAC name of 8-[[3-(trifluoromethyl)phenyl]methyl]-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 8-[[3-(trifluoromethyl)phenyl]methyl]-1,2,3,4-tetrahydroquinoline (CID 63970552) is 8-[[3-(trifluoromethyl)phenyl]methyl]-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 8-[[3-(trifluoromethyl)phenyl]methyl]-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 8-[[3-(trifluoromethyl)phenyl]methyl]-1,2,3,4-tetrahydroquinoline is FC(F)(F)c1cccc(Cc2cccc3c2NCCC3)c1.
What is the InChIKey of 8-[[3-(trifluoromethyl)phenyl]methyl]-1,2,3,4-tetrahydroquinoline?
The InChIKey is XFVFWFGFYVBVJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N/c18-17(19,20)15-8-1-4-12(11-15)10-14-6-2-5-13-7-3-9-21-16(13)14/h1-2,4-6,8,11,21H,3,7,9-10H2.
What are the key properties of 8-[[3-(trifluoromethyl)phenyl]methyl]-1,2,3,4-tetrahydroquinoline?
8-[[3-(trifluoromethyl)phenyl]methyl]-1,2,3,4-tetrahydroquinoline has a molecular weight of 291.32 g/mol, XLogP of 4.65, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[3-(trifluoromethyl)phenyl]methyl]-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 63970552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).