8-(2,4,5-trifluorophenyl)-1,2,3,4-tetrahydroisoquinoline

C15H12F3N — CID 103144140

IUPAC8-(2,4,5-trifluorophenyl)-1,2,3,4-tetrahydroisoquinoline
SMILESFc1cc(F)c(-c2cccc3c2CNCC3)cc1F
InChIInChI=1S/C15H12F3N/c16-13-7-15(18)14(17)6-11(13)10-3-1-2-9-4-5-19-8-12(9)10/h1-3,6-7,19H,4-5,8H2
InChIKeyUCGCCYCPNUJCIE-UHFFFAOYSA-N
MW263.26 g/mol
LogP3.42
Rot. Bonds1

About 8-(2,4,5-trifluorophenyl)-1,2,3,4-tetrahydroisoquinoline

8-(2,4,5-trifluorophenyl)-1,2,3,4-tetrahydroisoquinoline (PubChem CID 103144140) has the molecular formula C15H12F3N and a molecular weight of 263.26 g/mol. Its IUPAC name is 8-(2,4,5-trifluorophenyl)-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name8-(2,4,5-trifluorophenyl)-1,2,3,4-tetrahydroisoquinoline
PubChem CID103144140
Molecular FormulaC15H12F3N
Molecular Weight263.26 g/mol
Exact Mass263.09
IUPAC Name8-(2,4,5-trifluorophenyl)-1,2,3,4-tetrahydroisoquinoline
SMILESFc1cc(F)c(-c2cccc3c2CNCC3)cc1F
InChIInChI=1S/C15H12F3N/c16-13-7-15(18)14(17)6-11(13)10-3-1-2-9-4-5-19-8-12(9)10/h1-3,6-7,19H,4-5,8H2
InChIKeyUCGCCYCPNUJCIE-UHFFFAOYSA-N
XLogP3.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

8-fluoro-1,2,3,4-tetrahydroisoquinoline;hydrochloride
CID 45074043
8-(2,3,4-trimethylphenyl)-1,2,3,4-tetrahydroisoquinoline
CID 142903314
8-(2,3-dihydro-1-benzofuran-7-yl)-1,2,3,4-tetrahydroisoquinoline
CID 106781675
8-chloro-1,2,3,4-tetrahydroisoquinoline
CID 12595071
8-(5-methylfuran-2-yl)-1,2,3,4-tetrahydroisoquinoline
CID 166247300
5-(3-fluoro-4-pyridinyl)-1,2,3,4-tetrahydroisoquinoline
CID 56861224
8-(2-propan-2-ylpyrazol-3-yl)-1,2,3,4-tetrahydroisoquinoline
CID 114197799
5-(1,2,3,4-tetrahydroisoquinolin-8-yl)furan-2-carbaldehyde
CID 169333519
8-[(4-fluorophenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 106777742
8-bromo-1,2,3,4-tetrahydroisoquinoline;ethane
CID 143708719
5-(5,6-difluoro-1H-benzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline
CID 104557785
8-(trifluoromethylsulfanyl)-1,2,3,4-tetrahydroisoquinoline
CID 23336540

Frequently Asked Questions

What is the IUPAC name of 8-(2,4,5-trifluorophenyl)-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 8-(2,4,5-trifluorophenyl)-1,2,3,4-tetrahydroisoquinoline (CID 103144140) is 8-(2,4,5-trifluorophenyl)-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 8-(2,4,5-trifluorophenyl)-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 8-(2,4,5-trifluorophenyl)-1,2,3,4-tetrahydroisoquinoline is Fc1cc(F)c(-c2cccc3c2CNCC3)cc1F.
What is the InChIKey of 8-(2,4,5-trifluorophenyl)-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is UCGCCYCPNUJCIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N/c16-13-7-15(18)14(17)6-11(13)10-3-1-2-9-4-5-19-8-12(9)10/h1-3,6-7,19H,4-5,8H2.
What are the key properties of 8-(2,4,5-trifluorophenyl)-1,2,3,4-tetrahydroisoquinoline?
8-(2,4,5-trifluorophenyl)-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 263.26 g/mol, XLogP of 3.42, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,4,5-trifluorophenyl)-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 103144140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).