1-fluoro-3,4-dihydroisoquinolin-3-ol

C9H8FNO — CID 174972148

IUPAC1-fluoro-3,4-dihydroisoquinolin-3-ol
SMILESOC1Cc2ccccc2C(F)=N1
InChIInChI=1S/C9H8FNO/c10-9-7-4-2-1-3-6(7)5-8(12)11-9/h1-4,8,12H,5H2
InChIKeyVKMQXBCPDKWBDY-UHFFFAOYSA-N
MW165.17 g/mol
LogP1.28
Rot. Bonds

About 1-fluoro-3,4-dihydroisoquinolin-3-ol

1-fluoro-3,4-dihydroisoquinolin-3-ol (PubChem CID 174972148) has the molecular formula C9H8FNO and a molecular weight of 165.17 g/mol. Its IUPAC name is 1-fluoro-3,4-dihydroisoquinolin-3-ol.

Molecular Properties

Compound Name1-fluoro-3,4-dihydroisoquinolin-3-ol
PubChem CID174972148
Molecular FormulaC9H8FNO
Molecular Weight165.17 g/mol
Exact Mass165.06
IUPAC Name1-fluoro-3,4-dihydroisoquinolin-3-ol
SMILESOC1Cc2ccccc2C(F)=N1
InChIInChI=1S/C9H8FNO/c10-9-7-4-2-1-3-6(7)5-8(12)11-9/h1-4,8,12H,5H2
InChIKeyVKMQXBCPDKWBDY-UHFFFAOYSA-N
XLogP1.28
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.17
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3,4-dihydroisoquinolin-3-ol?
The IUPAC name of 1-fluoro-3,4-dihydroisoquinolin-3-ol (CID 174972148) is 1-fluoro-3,4-dihydroisoquinolin-3-ol.
What is the SMILES notation for 1-fluoro-3,4-dihydroisoquinolin-3-ol?
The canonical SMILES for 1-fluoro-3,4-dihydroisoquinolin-3-ol is OC1Cc2ccccc2C(F)=N1.
What is the InChIKey of 1-fluoro-3,4-dihydroisoquinolin-3-ol?
The InChIKey is VKMQXBCPDKWBDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FNO/c10-9-7-4-2-1-3-6(7)5-8(12)11-9/h1-4,8,12H,5H2.
What are the key properties of 1-fluoro-3,4-dihydroisoquinolin-3-ol?
1-fluoro-3,4-dihydroisoquinolin-3-ol has a molecular weight of 165.17 g/mol, XLogP of 1.28, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3,4-dihydroisoquinolin-3-ol is sourced from PubChem (CID 174972148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).