7-(3-fluoropropyl)-1,2,3,4,6,7-hexahydroisoquinolin-6-ol

C12H18FNO — CID 166718975

IUPAC7-(3-fluoropropyl)-1,2,3,4,6,7-hexahydroisoquinolin-6-ol
SMILESOC1C=C2CCNCC2=CC1CCCF
InChIInChI=1S/C12H18FNO/c13-4-1-2-10-6-11-8-14-5-3-9(11)7-12(10)15/h6-7,10,12,14-15H,1-5,8H2
InChIKeyCPSZQMHLYLCKMC-UHFFFAOYSA-N
MW211.28 g/mol
LogP1.57
Rot. Bonds3

About 7-(3-fluoropropyl)-1,2,3,4,6,7-hexahydroisoquinolin-6-ol

7-(3-fluoropropyl)-1,2,3,4,6,7-hexahydroisoquinolin-6-ol (PubChem CID 166718975) has the molecular formula C12H18FNO and a molecular weight of 211.28 g/mol. Its IUPAC name is 7-(3-fluoropropyl)-1,2,3,4,6,7-hexahydroisoquinolin-6-ol.

Molecular Properties

Compound Name7-(3-fluoropropyl)-1,2,3,4,6,7-hexahydroisoquinolin-6-ol
PubChem CID166718975
Molecular FormulaC12H18FNO
Molecular Weight211.28 g/mol
Exact Mass211.14
IUPAC Name7-(3-fluoropropyl)-1,2,3,4,6,7-hexahydroisoquinolin-6-ol
SMILESOC1C=C2CCNCC2=CC1CCCF
InChIInChI=1S/C12H18FNO/c13-4-1-2-10-6-11-8-14-5-3-9(11)7-12(10)15/h6-7,10,12,14-15H,1-5,8H2
InChIKeyCPSZQMHLYLCKMC-UHFFFAOYSA-N
XLogP1.57
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(3-fluoropropyl)-1,2,3,4,6,7-hexahydroisoquinolin-6-ol?
The IUPAC name of 7-(3-fluoropropyl)-1,2,3,4,6,7-hexahydroisoquinolin-6-ol (CID 166718975) is 7-(3-fluoropropyl)-1,2,3,4,6,7-hexahydroisoquinolin-6-ol.
What is the SMILES notation for 7-(3-fluoropropyl)-1,2,3,4,6,7-hexahydroisoquinolin-6-ol?
The canonical SMILES for 7-(3-fluoropropyl)-1,2,3,4,6,7-hexahydroisoquinolin-6-ol is OC1C=C2CCNCC2=CC1CCCF.
What is the InChIKey of 7-(3-fluoropropyl)-1,2,3,4,6,7-hexahydroisoquinolin-6-ol?
The InChIKey is CPSZQMHLYLCKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO/c13-4-1-2-10-6-11-8-14-5-3-9(11)7-12(10)15/h6-7,10,12,14-15H,1-5,8H2.
What are the key properties of 7-(3-fluoropropyl)-1,2,3,4,6,7-hexahydroisoquinolin-6-ol?
7-(3-fluoropropyl)-1,2,3,4,6,7-hexahydroisoquinolin-6-ol has a molecular weight of 211.28 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-fluoropropyl)-1,2,3,4,6,7-hexahydroisoquinolin-6-ol is sourced from PubChem (CID 166718975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).