(1S)-7-fluoro-1-methyl-3,4-dihydro-2H-isoquinolin-1-ol

C10H12FNO — CID 155312725

IUPAC(1S)-7-fluoro-1-methyl-3,4-dihydro-2H-isoquinolin-1-ol
SMILESC[C@@]1(O)NCCc2ccc(F)cc21
InChIInChI=1S/C10H12FNO/c1-10(13)9-6-8(11)3-2-7(9)4-5-12-10/h2-3,6,12-13H,4-5H2,1H3/t10-/m0/s1
InChIKeyBATVGJFGECMXRX-JTQLQIEISA-N
MW181.21 g/mol
LogP1.14
Rot. Bonds

About (1S)-7-fluoro-1-methyl-3,4-dihydro-2H-isoquinolin-1-ol

(1S)-7-fluoro-1-methyl-3,4-dihydro-2H-isoquinolin-1-ol (PubChem CID 155312725) has the molecular formula C10H12FNO and a molecular weight of 181.21 g/mol. Its IUPAC name is (1S)-7-fluoro-1-methyl-3,4-dihydro-2H-isoquinolin-1-ol.

Molecular Properties

Compound Name(1S)-7-fluoro-1-methyl-3,4-dihydro-2H-isoquinolin-1-ol
PubChem CID155312725
Molecular FormulaC10H12FNO
Molecular Weight181.21 g/mol
Exact Mass181.09
IUPAC Name(1S)-7-fluoro-1-methyl-3,4-dihydro-2H-isoquinolin-1-ol
SMILESC[C@@]1(O)NCCc2ccc(F)cc21
InChIInChI=1S/C10H12FNO/c1-10(13)9-6-8(11)3-2-7(9)4-5-12-10/h2-3,6,12-13H,4-5H2,1H3/t10-/m0/s1
InChIKeyBATVGJFGECMXRX-JTQLQIEISA-N
XLogP1.14
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1,2,3,4-Tetrahydroisoquinolin-7-yl)methanol
CID 10610870
1,2,3,4-Tetrahydroisoquinolin-4-ol
CID 11744792
17-Azatetracyclo[7.7.1.02,7.011,16]heptadeca-2,4,6,11,13,15-hexaen-1-ol
CID 12552296
1,2,3,4-Tetrahydroisoquinolin-4-ol hydrochloride
CID 20260973
8-Fluoro-1,2,3,4-tetrahydroisoquinolin-6-ol
CID 118681291
2-(1-Methyl-1,2,3,4-tetrahydroisoquinolin-1-yl)propan-2-ol
CID 589739
(1,2,3,4-Tetrahydroisoquinolin-8-yl)methanol hydrochloride
CID 146082998
5-Fluoro-1,2,3,4-tetrahydroisoquinolin-6-ol hydrochloride
CID 165727532
Methylamino-1-phenyl-1-propanol
CID 19933884
Tetrahydroisoquinolinol
CID 22335318
Dihydroxytetrahydroisoquinoline
CID 69168957
Hydroxybenzyltetrahydroisoquinoline
CID 69311906

Frequently Asked Questions

What is the IUPAC name of (1S)-7-fluoro-1-methyl-3,4-dihydro-2H-isoquinolin-1-ol?
The IUPAC name of (1S)-7-fluoro-1-methyl-3,4-dihydro-2H-isoquinolin-1-ol (CID 155312725) is (1S)-7-fluoro-1-methyl-3,4-dihydro-2H-isoquinolin-1-ol.
What is the SMILES notation for (1S)-7-fluoro-1-methyl-3,4-dihydro-2H-isoquinolin-1-ol?
The canonical SMILES for (1S)-7-fluoro-1-methyl-3,4-dihydro-2H-isoquinolin-1-ol is C[C@@]1(O)NCCc2ccc(F)cc21.
What is the InChIKey of (1S)-7-fluoro-1-methyl-3,4-dihydro-2H-isoquinolin-1-ol?
The InChIKey is BATVGJFGECMXRX-JTQLQIEISA-N. The full InChI is InChI=1S/C10H12FNO/c1-10(13)9-6-8(11)3-2-7(9)4-5-12-10/h2-3,6,12-13H,4-5H2,1H3/t10-/m0/s1.
What are the key properties of (1S)-7-fluoro-1-methyl-3,4-dihydro-2H-isoquinolin-1-ol?
(1S)-7-fluoro-1-methyl-3,4-dihydro-2H-isoquinolin-1-ol has a molecular weight of 181.21 g/mol, XLogP of 1.14, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-7-fluoro-1-methyl-3,4-dihydro-2H-isoquinolin-1-ol is sourced from PubChem (CID 155312725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).