3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinolin-5-ol

C10H12FNO — CID 84718500

IUPAC3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinolin-5-ol
SMILESOc1cccc2c1CC(CF)NC2
InChIInChI=1S/C10H12FNO/c11-5-8-4-9-7(6-12-8)2-1-3-10(9)13/h1-3,8,12-13H,4-6H2
InChIKeyLZFRQYFAFWXSSR-UHFFFAOYSA-N
MW181.21 g/mol
LogP1.38
Rot. Bonds1

About 3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinolin-5-ol

3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinolin-5-ol (PubChem CID 84718500) has the molecular formula C10H12FNO and a molecular weight of 181.21 g/mol. Its IUPAC name is 3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinolin-5-ol.

Molecular Properties

Compound Name3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinolin-5-ol
PubChem CID84718500
Molecular FormulaC10H12FNO
Molecular Weight181.21 g/mol
Exact Mass181.09
IUPAC Name3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinolin-5-ol
SMILESOc1cccc2c1CC(CF)NC2
InChIInChI=1S/C10H12FNO/c11-5-8-4-9-7(6-12-8)2-1-3-10(9)13/h1-3,8,12-13H,4-6H2
InChIKeyLZFRQYFAFWXSSR-UHFFFAOYSA-N
XLogP1.38
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 ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-1,2,3,4-tetrahydroisoquinolin-5-ol
CID 115063736
(5-fluoro-1,2,3,4-tetrahydroisoquinolin-3-yl)methanol
CID 83875727
3-(hydroxymethyl)-1,2,3,4-tetrahydroisoquinolin-8-ol
CID 105438005
3-[(cyclopropylamino)methyl]-1,2,3,4-tetrahydroisoquinolin-8-ol
CID 105472938
[(3S)-5-iodo-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol
CID 130977729
3-(diethylaminomethyl)-1,2,3,4-tetrahydroisoquinolin-8-ol
CID 105494994
3-benzyl-5-cyclopropyl-1,2,3,4-tetrahydroisoquinoline
CID 79970904
3-(fluoromethyl)-6-methyl-1,2,3,4-tetrahydroisoquinoline
CID 84718259
(3S)-7-bromo-3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinoline
CID 10776652
3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide
CID 10399576
5-(difluoromethoxy)-3-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline
CID 62786265
(4aR,10aS)-1,2,3,4,4a,5,10,10a-octahydrobenzo[g]quinolin-9-ol
CID 14879705

Frequently Asked Questions

What is the IUPAC name of 3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinolin-5-ol?
The IUPAC name of 3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinolin-5-ol (CID 84718500) is 3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinolin-5-ol.
What is the SMILES notation for 3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinolin-5-ol?
The canonical SMILES for 3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinolin-5-ol is Oc1cccc2c1CC(CF)NC2.
What is the InChIKey of 3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinolin-5-ol?
The InChIKey is LZFRQYFAFWXSSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO/c11-5-8-4-9-7(6-12-8)2-1-3-10(9)13/h1-3,8,12-13H,4-6H2.
What are the key properties of 3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinolin-5-ol?
3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinolin-5-ol has a molecular weight of 181.21 g/mol, XLogP of 1.38, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinolin-5-ol is sourced from PubChem (CID 84718500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).