3-(trifluoromethyl)-3,4-dihydroisoquinoline

C10H8F3N — CID 19973230

IUPAC3-(trifluoromethyl)-3,4-dihydroisoquinoline
SMILESFC(F)(F)C1Cc2ccccc2C=N1
InChIInChI=1S/C10H8F3N/c11-10(12,13)9-5-7-3-1-2-4-8(7)6-14-9/h1-4,6,9H,5H2
InChIKeyACDLJNWYCWRDSQ-UHFFFAOYSA-N
MW199.18 g/mol
LogP2.59
Rot. Bonds

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

3-(trifluoromethyl)-3,4-dihydroisoquinoline (PubChem CID 19973230) has the molecular formula C10H8F3N and a molecular weight of 199.18 g/mol. Its IUPAC name is 3-(trifluoromethyl)-3,4-dihydroisoquinoline.

Molecular Properties

Compound Name3-(trifluoromethyl)-3,4-dihydroisoquinoline
PubChem CID19973230
Molecular FormulaC10H8F3N
Molecular Weight199.18 g/mol
Exact Mass199.06
IUPAC Name3-(trifluoromethyl)-3,4-dihydroisoquinoline
SMILESFC(F)(F)C1Cc2ccccc2C=N1
InChIInChI=1S/C10H8F3N/c11-10(12,13)9-5-7-3-1-2-4-8(7)6-14-9/h1-4,6,9H,5H2
InChIKeyACDLJNWYCWRDSQ-UHFFFAOYSA-N
XLogP2.59
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 ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-Benzylidenecyclohexylamine
CID 75167
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
1,4-Dimethyl-3,4-dihydroisoquinoline
CID 321435
1,3-Dimethyl-3,4-dihydroisoquinoline
CID 3245338
1,3-Dimethyl-3,4-dihydroisoquinoline;hydrochloride
CID 6603531

Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)-3,4-dihydroisoquinoline?
The IUPAC name of 3-(trifluoromethyl)-3,4-dihydroisoquinoline (CID 19973230) is 3-(trifluoromethyl)-3,4-dihydroisoquinoline.
What is the SMILES notation for 3-(trifluoromethyl)-3,4-dihydroisoquinoline?
The canonical SMILES for 3-(trifluoromethyl)-3,4-dihydroisoquinoline is FC(F)(F)C1Cc2ccccc2C=N1.
What is the InChIKey of 3-(trifluoromethyl)-3,4-dihydroisoquinoline?
The InChIKey is ACDLJNWYCWRDSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N/c11-10(12,13)9-5-7-3-1-2-4-8(7)6-14-9/h1-4,6,9H,5H2.
What are the key properties of 3-(trifluoromethyl)-3,4-dihydroisoquinoline?
3-(trifluoromethyl)-3,4-dihydroisoquinoline has a molecular weight of 199.18 g/mol, XLogP of 2.59, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)-3,4-dihydroisoquinoline is sourced from PubChem (CID 19973230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).