1-(3,4-difluorophenyl)-3,4-dihydroisoquinoline

C15H11F2N — CID 59536390

IUPAC1-(3,4-difluorophenyl)-3,4-dihydroisoquinoline
SMILESFc1ccc(C2=NCCc3ccccc32)cc1F
InChIInChI=1S/C15H11F2N/c16-13-6-5-11(9-14(13)17)15-12-4-2-1-3-10(12)7-8-18-15/h1-6,9H,7-8H2
InChIKeyJOQXZINRPPRZAH-UHFFFAOYSA-N
MW243.26 g/mol
LogP3.36
Rot. Bonds1

About 1-(3,4-difluorophenyl)-3,4-dihydroisoquinoline

1-(3,4-difluorophenyl)-3,4-dihydroisoquinoline (PubChem CID 59536390) has the molecular formula C15H11F2N and a molecular weight of 243.26 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-3,4-dihydroisoquinoline.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-3,4-dihydroisoquinoline
PubChem CID59536390
Molecular FormulaC15H11F2N
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Name1-(3,4-difluorophenyl)-3,4-dihydroisoquinoline
SMILESFc1ccc(C2=NCCc3ccccc32)cc1F
InChIInChI=1S/C15H11F2N/c16-13-6-5-11(9-14(13)17)15-12-4-2-1-3-10(12)7-8-18-15/h1-6,9H,7-8H2
InChIKeyJOQXZINRPPRZAH-UHFFFAOYSA-N
XLogP3.36
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-3,4-dihydroisoquinoline?
The IUPAC name of 1-(3,4-difluorophenyl)-3,4-dihydroisoquinoline (CID 59536390) is 1-(3,4-difluorophenyl)-3,4-dihydroisoquinoline.
What is the SMILES notation for 1-(3,4-difluorophenyl)-3,4-dihydroisoquinoline?
The canonical SMILES for 1-(3,4-difluorophenyl)-3,4-dihydroisoquinoline is Fc1ccc(C2=NCCc3ccccc32)cc1F.
What is the InChIKey of 1-(3,4-difluorophenyl)-3,4-dihydroisoquinoline?
The InChIKey is JOQXZINRPPRZAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2N/c16-13-6-5-11(9-14(13)17)15-12-4-2-1-3-10(12)7-8-18-15/h1-6,9H,7-8H2.
What are the key properties of 1-(3,4-difluorophenyl)-3,4-dihydroisoquinoline?
1-(3,4-difluorophenyl)-3,4-dihydroisoquinoline has a molecular weight of 243.26 g/mol, XLogP of 3.36, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-3,4-dihydroisoquinoline is sourced from PubChem (CID 59536390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).