2-(2-fluorophenyl)-3,4-dihydro-1H-isoquinoline

C15H14FN — CID 102223613

IUPAC2-(2-fluorophenyl)-3,4-dihydro-1H-isoquinoline
SMILESFc1ccccc1N1CCc2ccccc2C1
InChIInChI=1S/C15H14FN/c16-14-7-3-4-8-15(14)17-10-9-12-5-1-2-6-13(12)11-17/h1-8H,9-11H2
InChIKeyYIKMNYRAMYGSFT-UHFFFAOYSA-N
MW227.28 g/mol
LogP3.39
Rot. Bonds1

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

2-(2-fluorophenyl)-3,4-dihydro-1H-isoquinoline (PubChem CID 102223613) has the molecular formula C15H14FN and a molecular weight of 227.28 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-(2-fluorophenyl)-3,4-dihydro-1H-isoquinoline
PubChem CID102223613
Molecular FormulaC15H14FN
Molecular Weight227.28 g/mol
Exact Mass227.11
IUPAC Name2-(2-fluorophenyl)-3,4-dihydro-1H-isoquinoline
SMILESFc1ccccc1N1CCc2ccccc2C1
InChIInChI=1S/C15H14FN/c16-14-7-3-4-8-15(14)17-10-9-12-5-1-2-6-13(12)11-17/h1-8H,9-11H2
InChIKeyYIKMNYRAMYGSFT-UHFFFAOYSA-N
XLogP3.39
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-(2-fluorophenyl)-3,4-dihydro-1H-isoquinoline (CID 102223613) is 2-(2-fluorophenyl)-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-(2-fluorophenyl)-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-(2-fluorophenyl)-3,4-dihydro-1H-isoquinoline is Fc1ccccc1N1CCc2ccccc2C1.
What is the InChIKey of 2-(2-fluorophenyl)-3,4-dihydro-1H-isoquinoline?
The InChIKey is YIKMNYRAMYGSFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN/c16-14-7-3-4-8-15(14)17-10-9-12-5-1-2-6-13(12)11-17/h1-8H,9-11H2.
What are the key properties of 2-(2-fluorophenyl)-3,4-dihydro-1H-isoquinoline?
2-(2-fluorophenyl)-3,4-dihydro-1H-isoquinoline has a molecular weight of 227.28 g/mol, XLogP of 3.39, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 102223613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).