(5-fluoro-1,2,3,4-tetrahydroisoquinolin-3-yl)methanol

C10H12FNO — CID 83875727

IUPAC(5-fluoro-1,2,3,4-tetrahydroisoquinolin-3-yl)methanol
SMILESOCC1Cc2c(F)cccc2CN1
InChIInChI=1S/C10H12FNO/c11-10-3-1-2-7-5-12-8(6-13)4-9(7)10/h1-3,8,12-13H,4-6H2
InChIKeyPYMOPLLFARKAKW-UHFFFAOYSA-N
MW181.21 g/mol
LogP0.83
Rot. Bonds1

About (5-fluoro-1,2,3,4-tetrahydroisoquinolin-3-yl)methanol

(5-fluoro-1,2,3,4-tetrahydroisoquinolin-3-yl)methanol (PubChem CID 83875727) has the molecular formula C10H12FNO and a molecular weight of 181.21 g/mol. Its IUPAC name is (5-fluoro-1,2,3,4-tetrahydroisoquinolin-3-yl)methanol.

Molecular Properties

Compound Name(5-fluoro-1,2,3,4-tetrahydroisoquinolin-3-yl)methanol
PubChem CID83875727
Molecular FormulaC10H12FNO
Molecular Weight181.21 g/mol
Exact Mass181.09
IUPAC Name(5-fluoro-1,2,3,4-tetrahydroisoquinolin-3-yl)methanol
SMILESOCC1Cc2c(F)cccc2CN1
InChIInChI=1S/C10H12FNO/c11-10-3-1-2-7-5-12-8(6-13)4-9(7)10/h1-3,8,12-13H,4-6H2
InChIKeyPYMOPLLFARKAKW-UHFFFAOYSA-N
XLogP0.83
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-fluoro-1,2,3,4-tetrahydroisoquinolin-3-yl)methanol?
The IUPAC name of (5-fluoro-1,2,3,4-tetrahydroisoquinolin-3-yl)methanol (CID 83875727) is (5-fluoro-1,2,3,4-tetrahydroisoquinolin-3-yl)methanol.
What is the SMILES notation for (5-fluoro-1,2,3,4-tetrahydroisoquinolin-3-yl)methanol?
The canonical SMILES for (5-fluoro-1,2,3,4-tetrahydroisoquinolin-3-yl)methanol is OCC1Cc2c(F)cccc2CN1.
What is the InChIKey of (5-fluoro-1,2,3,4-tetrahydroisoquinolin-3-yl)methanol?
The InChIKey is PYMOPLLFARKAKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO/c11-10-3-1-2-7-5-12-8(6-13)4-9(7)10/h1-3,8,12-13H,4-6H2.
What are the key properties of (5-fluoro-1,2,3,4-tetrahydroisoquinolin-3-yl)methanol?
(5-fluoro-1,2,3,4-tetrahydroisoquinolin-3-yl)methanol has a molecular weight of 181.21 g/mol, XLogP of 0.83, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-1,2,3,4-tetrahydroisoquinolin-3-yl)methanol is sourced from PubChem (CID 83875727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).