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

C17H16F3N — CID 106778836

IUPAC3-[[4-(trifluoromethyl)phenyl]methyl]-1,2,3,4-tetrahydroquinoline
SMILESFC(F)(F)c1ccc(CC2CNc3ccccc3C2)cc1
InChIInChI=1S/C17H16F3N/c18-17(19,20)15-7-5-12(6-8-15)9-13-10-14-3-1-2-4-16(14)21-11-13/h1-8,13,21H,9-11H2
InChIKeyCJDGPVGBMYMEQL-UHFFFAOYSA-N
MW291.32 g/mol
LogP4.53
Rot. Bonds2

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

3-[[4-(trifluoromethyl)phenyl]methyl]-1,2,3,4-tetrahydroquinoline (PubChem CID 106778836) has the molecular formula C17H16F3N and a molecular weight of 291.32 g/mol. Its IUPAC name is 3-[[4-(trifluoromethyl)phenyl]methyl]-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name3-[[4-(trifluoromethyl)phenyl]methyl]-1,2,3,4-tetrahydroquinoline
PubChem CID106778836
Molecular FormulaC17H16F3N
Molecular Weight291.32 g/mol
Exact Mass291.12
IUPAC Name3-[[4-(trifluoromethyl)phenyl]methyl]-1,2,3,4-tetrahydroquinoline
SMILESFC(F)(F)c1ccc(CC2CNc3ccccc3C2)cc1
InChIInChI=1S/C17H16F3N/c18-17(19,20)15-7-5-12(6-8-15)9-13-10-14-3-1-2-4-16(14)21-11-13/h1-8,13,21H,9-11H2
InChIKeyCJDGPVGBMYMEQL-UHFFFAOYSA-N
XLogP4.53
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 ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[[4-(trifluoromethyl)phenyl]methyl]azetidine;hydrochloride
CID 47002379
3-[(2,4,6-trimethylphenyl)methyl]-1,2,3,4-tetrahydroquinoline
CID 106778280
3,3,3-trifluoro-N-methyl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)propan-1-amine
CID 106902239
3-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine;hydrochloride
CID 131868892
3-[2-(4-methoxyphenyl)ethyl]-1,2,3,4-tetrahydroquinoline
CID 106779338
3-[(2,5-dimethylphenyl)methyl]-1,2,3,4-tetrahydroquinoline
CID 106777922
1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-isoindole
CID 65046308
1-(cyclohexylmethyl)-4-(trifluoromethyl)benzene
CID 67129674
3-(azetidin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline
CID 105454799
(3S)-3-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline
CID 70239123
3-(3-methoxy-3-methylbutyl)-1,2,3,4-tetrahydroquinoline
CID 106777711
4-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine
CID 83261999

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(trifluoromethyl)phenyl]methyl]-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 3-[[4-(trifluoromethyl)phenyl]methyl]-1,2,3,4-tetrahydroquinoline (CID 106778836) is 3-[[4-(trifluoromethyl)phenyl]methyl]-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 3-[[4-(trifluoromethyl)phenyl]methyl]-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 3-[[4-(trifluoromethyl)phenyl]methyl]-1,2,3,4-tetrahydroquinoline is FC(F)(F)c1ccc(CC2CNc3ccccc3C2)cc1.
What is the InChIKey of 3-[[4-(trifluoromethyl)phenyl]methyl]-1,2,3,4-tetrahydroquinoline?
The InChIKey is CJDGPVGBMYMEQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N/c18-17(19,20)15-7-5-12(6-8-15)9-13-10-14-3-1-2-4-16(14)21-11-13/h1-8,13,21H,9-11H2.
What are the key properties of 3-[[4-(trifluoromethyl)phenyl]methyl]-1,2,3,4-tetrahydroquinoline?
3-[[4-(trifluoromethyl)phenyl]methyl]-1,2,3,4-tetrahydroquinoline has a molecular weight of 291.32 g/mol, XLogP of 4.53, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(trifluoromethyl)phenyl]methyl]-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 106778836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).