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

C10H9F4N — CID 66875826

IUPAC8-fluoro-1-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline
SMILESFc1cccc2c1C(C(F)(F)F)NCC2
InChIInChI=1S/C10H9F4N/c11-7-3-1-2-6-4-5-15-9(8(6)7)10(12,13)14/h1-3,9,15H,4-5H2
InChIKeyYPGYGOHONRVEDO-UHFFFAOYSA-N
MW219.18 g/mol
LogP2.57
Rot. Bonds

About 8-fluoro-1-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline

8-fluoro-1-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline (PubChem CID 66875826) has the molecular formula C10H9F4N and a molecular weight of 219.18 g/mol. Its IUPAC name is 8-fluoro-1-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name8-fluoro-1-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline
PubChem CID66875826
Molecular FormulaC10H9F4N
Molecular Weight219.18 g/mol
Exact Mass219.07
IUPAC Name8-fluoro-1-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline
SMILESFc1cccc2c1C(C(F)(F)F)NCC2
InChIInChI=1S/C10H9F4N/c11-7-3-1-2-6-4-5-15-9(8(6)7)10(12,13)14/h1-3,9,15H,4-5H2
InChIKeyYPGYGOHONRVEDO-UHFFFAOYSA-N
XLogP2.57
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 ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

8-bromo-1-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline
CID 130040965
(1S)-7-fluoro-1-methyl-2,3-dihydro-1H-indene
CID 89205877
7-fluoro-1-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline;hydrochloride
CID 170910361
7-bromo-1-(trifluoromethyl)-2,3-dihydro-1H-isoindole
CID 82379827
(1S)-1-(2,6-difluorophenyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol
CID 686375
7-fluoro-2,3-dihydro-1H-inden-1-amine
CID 58440160
ethane;7-fluoro-2,3-dihydro-1H-indole
CID 171527172
6,7,8-trimethoxy-1-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline
CID 83970461
5-azatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-trien-3-one
CID 50877055
1-chloro-1,2,3,4-tetrahydroisoquinolin-8-ol
CID 174954267
5-fluoro-3-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline
CID 84684340
(1S)-1-methyl-1,2,3,4-tetrahydroisoquinolin-8-ol
CID 96972246

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-1-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 8-fluoro-1-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline (CID 66875826) is 8-fluoro-1-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 8-fluoro-1-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 8-fluoro-1-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline is Fc1cccc2c1C(C(F)(F)F)NCC2.
What is the InChIKey of 8-fluoro-1-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is YPGYGOHONRVEDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F4N/c11-7-3-1-2-6-4-5-15-9(8(6)7)10(12,13)14/h1-3,9,15H,4-5H2.
What are the key properties of 8-fluoro-1-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline?
8-fluoro-1-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 219.18 g/mol, XLogP of 2.57, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-1-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 66875826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).