5-fluoro-3-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline

C10H9F4N — CID 84684340

IUPAC5-fluoro-3-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline
SMILESFc1cccc2c1CC(C(F)(F)F)NC2
InChIInChI=1S/C10H9F4N/c11-8-3-1-2-6-5-15-9(4-7(6)8)10(12,13)14/h1-3,9,15H,4-5H2
InChIKeyQCEINVDDJNSBBD-UHFFFAOYSA-N
MW219.18 g/mol
LogP2.40
Rot. Bonds

About 5-fluoro-3-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline

5-fluoro-3-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline (PubChem CID 84684340) has the molecular formula C10H9F4N and a molecular weight of 219.18 g/mol. Its IUPAC name is 5-fluoro-3-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name5-fluoro-3-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline
PubChem CID84684340
Molecular FormulaC10H9F4N
Molecular Weight219.18 g/mol
Exact Mass219.07
IUPAC Name5-fluoro-3-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline
SMILESFc1cccc2c1CC(C(F)(F)F)NC2
InChIInChI=1S/C10H9F4N/c11-8-3-1-2-6-5-15-9(4-7(6)8)10(12,13)14/h1-3,9,15H,4-5H2
InChIKeyQCEINVDDJNSBBD-UHFFFAOYSA-N
XLogP2.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.18
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(5-fluoro-1,2,3,4-tetrahydroisoquinolin-3-yl)methanol
CID 83875727
2-(4-fluoro-2,3-dihydro-1H-indol-2-yl)propan-2-ol
CID 117198627
2-(4-fluoro-2,3-dihydro-1H-inden-2-yl)-2-methylpropanoic acid
CID 105479063
8-fluoro-1-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline
CID 66875826
3-tert-butyl-1,2,3,4-tetrahydroisoquinoline
CID 10487896
3-benzyl-8-fluoro-1,2,3,4-tetrahydroisoquinoline
CID 59323086
ethane;4-fluoro-2,3-dihydro-1H-isoindole;methane;methanol;hydrate
CID 143936709
8-fluoro-1,2,3,4-tetrahydroisoquinoline;hydrochloride
CID 45074043
N-[(8-fluoro-1,2,3,4-tetrahydroisoquinolin-3-yl)methyl]ethanamine
CID 105462026
(2R)-7-methyl-2-(trifluoromethyl)-2,3-dihydro-1H-indole
CID 130642989
(2R)-7-chloro-2-(trifluoromethyl)-2,3-dihydro-1H-indole
CID 130682483
7-bromo-1-(trifluoromethyl)-2,3-dihydro-1H-isoindole
CID 82379827

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 5-fluoro-3-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline (CID 84684340) is 5-fluoro-3-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 5-fluoro-3-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 5-fluoro-3-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline is Fc1cccc2c1CC(C(F)(F)F)NC2.
What is the InChIKey of 5-fluoro-3-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is QCEINVDDJNSBBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F4N/c11-8-3-1-2-6-5-15-9(4-7(6)8)10(12,13)14/h1-3,9,15H,4-5H2.
What are the key properties of 5-fluoro-3-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline?
5-fluoro-3-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 219.18 g/mol, XLogP of 2.40, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 84684340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).