1-(fluoromethyl)-2-phenyl-3,4-dihydro-1H-isoquinoline

C16H16FN — CID 156774963

IUPAC1-(fluoromethyl)-2-phenyl-3,4-dihydro-1H-isoquinoline
SMILESFCC1c2ccccc2CCN1c1ccccc1
InChIInChI=1S/C16H16FN/c17-12-16-15-9-5-4-6-13(15)10-11-18(16)14-7-2-1-3-8-14/h1-9,16H,10-12H2
InChIKeySBQVXCYLZVVIQZ-UHFFFAOYSA-N
MW241.31 g/mol
LogP3.76
Rot. Bonds2

About 1-(fluoromethyl)-2-phenyl-3,4-dihydro-1H-isoquinoline

1-(fluoromethyl)-2-phenyl-3,4-dihydro-1H-isoquinoline (PubChem CID 156774963) has the molecular formula C16H16FN and a molecular weight of 241.31 g/mol. Its IUPAC name is 1-(fluoromethyl)-2-phenyl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name1-(fluoromethyl)-2-phenyl-3,4-dihydro-1H-isoquinoline
PubChem CID156774963
Molecular FormulaC16H16FN
Molecular Weight241.31 g/mol
Exact Mass241.13
IUPAC Name1-(fluoromethyl)-2-phenyl-3,4-dihydro-1H-isoquinoline
SMILESFCC1c2ccccc2CCN1c1ccccc1
InChIInChI=1S/C16H16FN/c17-12-16-15-9-5-4-6-13(15)10-11-18(16)14-7-2-1-3-8-14/h1-9,16H,10-12H2
InChIKeySBQVXCYLZVVIQZ-UHFFFAOYSA-N
XLogP3.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-bromo-2-phenyl-3,4-dihydro-1H-isoquinoline
CID 146165240
1-butyl-2-phenyl-3,4-dihydro-1H-isoquinoline
CID 132543559
1-(4-fluorophenyl)-2-(2-phenyl-3,4-dihydro-1H-isoquinolin-1-yl)ethanone
CID 132503091
6-[(1S)-2-phenyl-3,4-dihydro-1H-isoquinolin-1-yl]hexanenitrile
CID 134953498
S-tert-butyl 2-(2-phenyl-3,4-dihydro-1H-isoquinolin-1-yl)ethanethioate
CID 135000085
1-(2-methylbutan-2-yl)-2-phenyl-3,4-dihydro-1H-isoquinoline
CID 162415451
2-(4-bromophenyl)-1-prop-2-enyl-3,4-dihydro-1H-isoquinoline
CID 164898422
2-(4-methylphenyl)-1-prop-2-enyl-3,4-dihydro-1H-isoquinoline
CID 134951940
(1S)-1-hex-1-ynyl-2-phenyl-3,4-dihydro-1H-isoquinoline
CID 154718084
1-(nitromethyl)-2-(4-nitrophenyl)-3,4-dihydro-1H-isoquinoline
CID 102280738
2,2-difluoro-1-phenyl-2-(2-phenyl-3,4-dihydro-1H-isoquinolin-1-yl)ethanone
CID 101474371
2-phenyl-1-[2-[4-(trifluoromethyl)phenyl]ethynyl]-3,4-dihydro-1H-isoquinoline
CID 102418039

Frequently Asked Questions

What is the IUPAC name of 1-(fluoromethyl)-2-phenyl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 1-(fluoromethyl)-2-phenyl-3,4-dihydro-1H-isoquinoline (CID 156774963) is 1-(fluoromethyl)-2-phenyl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 1-(fluoromethyl)-2-phenyl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 1-(fluoromethyl)-2-phenyl-3,4-dihydro-1H-isoquinoline is FCC1c2ccccc2CCN1c1ccccc1.
What is the InChIKey of 1-(fluoromethyl)-2-phenyl-3,4-dihydro-1H-isoquinoline?
The InChIKey is SBQVXCYLZVVIQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN/c17-12-16-15-9-5-4-6-13(15)10-11-18(16)14-7-2-1-3-8-14/h1-9,16H,10-12H2.
What are the key properties of 1-(fluoromethyl)-2-phenyl-3,4-dihydro-1H-isoquinoline?
1-(fluoromethyl)-2-phenyl-3,4-dihydro-1H-isoquinoline has a molecular weight of 241.31 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(fluoromethyl)-2-phenyl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 156774963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).