6-cyclopropyl-8-fluoro-1,4-dihydroisoquinolin-1-ol

C12H12FNO — CID 91095670

IUPAC6-cyclopropyl-8-fluoro-1,4-dihydroisoquinolin-1-ol
SMILESOC1N=CCc2cc(C3CC3)cc(F)c21
InChIInChI=1S/C12H12FNO/c13-10-6-9(7-1-2-7)5-8-3-4-14-12(15)11(8)10/h4-7,12,15H,1-3H2
InChIKeyNTFWOTNJUURNAF-UHFFFAOYSA-N
MW205.23 g/mol
LogP2.32
Rot. Bonds1

About 6-cyclopropyl-8-fluoro-1,4-dihydroisoquinolin-1-ol

6-cyclopropyl-8-fluoro-1,4-dihydroisoquinolin-1-ol (PubChem CID 91095670) has the molecular formula C12H12FNO and a molecular weight of 205.23 g/mol. Its IUPAC name is 6-cyclopropyl-8-fluoro-1,4-dihydroisoquinolin-1-ol.

Molecular Properties

Compound Name6-cyclopropyl-8-fluoro-1,4-dihydroisoquinolin-1-ol
PubChem CID91095670
Molecular FormulaC12H12FNO
Molecular Weight205.23 g/mol
Exact Mass205.09
IUPAC Name6-cyclopropyl-8-fluoro-1,4-dihydroisoquinolin-1-ol
SMILESOC1N=CCc2cc(C3CC3)cc(F)c21
InChIInChI=1S/C12H12FNO/c13-10-6-9(7-1-2-7)5-8-3-4-14-12(15)11(8)10/h4-7,12,15H,1-3H2
InChIKeyNTFWOTNJUURNAF-UHFFFAOYSA-N
XLogP2.32
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.23
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-8-fluoro-1,4-dihydroisoquinolin-1-ol?
The IUPAC name of 6-cyclopropyl-8-fluoro-1,4-dihydroisoquinolin-1-ol (CID 91095670) is 6-cyclopropyl-8-fluoro-1,4-dihydroisoquinolin-1-ol.
What is the SMILES notation for 6-cyclopropyl-8-fluoro-1,4-dihydroisoquinolin-1-ol?
The canonical SMILES for 6-cyclopropyl-8-fluoro-1,4-dihydroisoquinolin-1-ol is OC1N=CCc2cc(C3CC3)cc(F)c21.
What is the InChIKey of 6-cyclopropyl-8-fluoro-1,4-dihydroisoquinolin-1-ol?
The InChIKey is NTFWOTNJUURNAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO/c13-10-6-9(7-1-2-7)5-8-3-4-14-12(15)11(8)10/h4-7,12,15H,1-3H2.
What are the key properties of 6-cyclopropyl-8-fluoro-1,4-dihydroisoquinolin-1-ol?
6-cyclopropyl-8-fluoro-1,4-dihydroisoquinolin-1-ol has a molecular weight of 205.23 g/mol, XLogP of 2.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-8-fluoro-1,4-dihydroisoquinolin-1-ol is sourced from PubChem (CID 91095670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).