4-(trifluoromethyl)-3,4-dihydroisoquinoline

C10H8F3N — CID 101186331

IUPAC4-(trifluoromethyl)-3,4-dihydroisoquinoline
SMILESFC(F)(F)C1CN=Cc2ccccc21
InChIInChI=1S/C10H8F3N/c11-10(12,13)9-6-14-5-7-3-1-2-4-8(7)9/h1-5,9H,6H2
InChIKeyZGWWFMFXFYGOSE-UHFFFAOYSA-N
MW199.18 g/mol
LogP2.77
Rot. Bonds

About 4-(trifluoromethyl)-3,4-dihydroisoquinoline

4-(trifluoromethyl)-3,4-dihydroisoquinoline (PubChem CID 101186331) has the molecular formula C10H8F3N and a molecular weight of 199.18 g/mol. Its IUPAC name is 4-(trifluoromethyl)-3,4-dihydroisoquinoline.

Molecular Properties

Compound Name4-(trifluoromethyl)-3,4-dihydroisoquinoline
PubChem CID101186331
Molecular FormulaC10H8F3N
Molecular Weight199.18 g/mol
Exact Mass199.06
IUPAC Name4-(trifluoromethyl)-3,4-dihydroisoquinoline
SMILESFC(F)(F)C1CN=Cc2ccccc21
InChIInChI=1S/C10H8F3N/c11-10(12,13)9-6-14-5-7-3-1-2-4-8(7)9/h1-5,9H,6H2
InChIKeyZGWWFMFXFYGOSE-UHFFFAOYSA-N
XLogP2.77
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.18
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3,4-Dihydroisoquinoline
CID 76705
N-benzylidene-2-phenylethanamine
CID 576350
Isoquinoline, 3,4-dihydro-3,3-dimethyl-, 2-oxide
CID 3073403
1-Phenyl-3,4-dihydroisoquinoline
CID 609926
1-Methyl-3,4-dihydroisoquinoline
CID 231502
1-Phenyl-3,4-dihydroisoquinoline hydrochloride
CID 12220823
Phenethylamine, N-(2,2,3,3,4,4,4-heptafluorobutylidene)-
CID 563360
Phenethylamine, N-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctylidene)-
CID 564143
Benzo(6,7)cyclohept(1,2,3-de)isoquinoline, 1,7,8,12b-tetrahydro-
CID 202158
1,4-Dimethyl-3,4-dihydroisoquinoline
CID 321435
Isoquinoline, 3,4-dihydro-, 2-oxide
CID 141110
5H-Dibenz(c,e)azepine
CID 6451520

Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)-3,4-dihydroisoquinoline?
The IUPAC name of 4-(trifluoromethyl)-3,4-dihydroisoquinoline (CID 101186331) is 4-(trifluoromethyl)-3,4-dihydroisoquinoline.
What is the SMILES notation for 4-(trifluoromethyl)-3,4-dihydroisoquinoline?
The canonical SMILES for 4-(trifluoromethyl)-3,4-dihydroisoquinoline is FC(F)(F)C1CN=Cc2ccccc21.
What is the InChIKey of 4-(trifluoromethyl)-3,4-dihydroisoquinoline?
The InChIKey is ZGWWFMFXFYGOSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N/c11-10(12,13)9-6-14-5-7-3-1-2-4-8(7)9/h1-5,9H,6H2.
What are the key properties of 4-(trifluoromethyl)-3,4-dihydroisoquinoline?
4-(trifluoromethyl)-3,4-dihydroisoquinoline has a molecular weight of 199.18 g/mol, XLogP of 2.77, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)-3,4-dihydroisoquinoline is sourced from PubChem (CID 101186331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).