7-fluoro-1-methyl-3,4-dihydroisoquinoline

C10H10FN — CID 18613806

IUPAC7-fluoro-1-methyl-3,4-dihydroisoquinoline
SMILESCC1=NCCc2ccc(F)cc21
InChIInChI=1S/C10H10FN/c1-7-10-6-9(11)3-2-8(10)4-5-12-7/h2-3,6H,4-5H2,1H3
InChIKeyXGMULTGNKKXZBS-UHFFFAOYSA-N
MW163.19 g/mol
LogP2.19
Rot. Bonds

About 7-fluoro-1-methyl-3,4-dihydroisoquinoline

7-fluoro-1-methyl-3,4-dihydroisoquinoline (PubChem CID 18613806) has the molecular formula C10H10FN and a molecular weight of 163.19 g/mol. Its IUPAC name is 7-fluoro-1-methyl-3,4-dihydroisoquinoline.

Molecular Properties

Compound Name7-fluoro-1-methyl-3,4-dihydroisoquinoline
PubChem CID18613806
Molecular FormulaC10H10FN
Molecular Weight163.19 g/mol
Exact Mass163.08
IUPAC Name7-fluoro-1-methyl-3,4-dihydroisoquinoline
SMILESCC1=NCCc2ccc(F)cc21
InChIInChI=1S/C10H10FN/c1-7-10-6-9(11)3-2-8(10)4-5-12-7/h2-3,6H,4-5H2,1H3
InChIKeyXGMULTGNKKXZBS-UHFFFAOYSA-N
XLogP2.19
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.19
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-methyl-3,4-dihydroisoquinoline tetrafluoroborate
CID 174929053
6-ethoxy-1-methyl-3,4-dihydroisoquinoline
CID 3029059
9-fluoro-5,6-dihydroimidazo[2,1-a]isoquinoline
CID 11593564
(2Z)-2-(7-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)-N,N-dimethylacetamide
CID 70261136
5-(2,4-difluorophenyl)-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline
CID 73212263
3-chloro-N-[3-(7-fluoro-3,4-dihydroisoquinolin-1-yl)phenyl]-2-methylbenzenesulfonamide
CID 22640667
6-N-(1-methyl-3,4-dihydroisoquinolin-7-yl)-2-N-(5-methyl-1H-pyrazol-3-yl)pyrazine-2,6-diamine
CID 68879370
6-bromo-3-fluoro-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
CID 22000390
2-(5-fluoro-2-methylphenyl)-1,4,5,6-tetrahydropyrimidine
CID 126982364
CID 155741888
CID 155741888
5-bromo-3-methyl-1H-isoindole
CID 20744879
4-fluorobicyclo[4.2.0]octa-1(6),2,4-trien-7-one
CID 10975535

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-1-methyl-3,4-dihydroisoquinoline?
The IUPAC name of 7-fluoro-1-methyl-3,4-dihydroisoquinoline (CID 18613806) is 7-fluoro-1-methyl-3,4-dihydroisoquinoline.
What is the SMILES notation for 7-fluoro-1-methyl-3,4-dihydroisoquinoline?
The canonical SMILES for 7-fluoro-1-methyl-3,4-dihydroisoquinoline is CC1=NCCc2ccc(F)cc21.
What is the InChIKey of 7-fluoro-1-methyl-3,4-dihydroisoquinoline?
The InChIKey is XGMULTGNKKXZBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN/c1-7-10-6-9(11)3-2-8(10)4-5-12-7/h2-3,6H,4-5H2,1H3.
What are the key properties of 7-fluoro-1-methyl-3,4-dihydroisoquinoline?
7-fluoro-1-methyl-3,4-dihydroisoquinoline has a molecular weight of 163.19 g/mol, XLogP of 2.19, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-1-methyl-3,4-dihydroisoquinoline is sourced from PubChem (CID 18613806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).