6-methoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl fluoride

C11H12FNO2 — CID 172635030

IUPAC6-methoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl fluoride
SMILESCOc1ccc2c(c1)CCN(C(=O)F)C2
InChIInChI=1S/C11H12FNO2/c1-15-10-3-2-9-7-13(11(12)14)5-4-8(9)6-10/h2-3,6H,4-5,7H2,1H3
InChIKeyNFUYYWKQLRBZCU-UHFFFAOYSA-N
MW209.22 g/mol
LogP2.14
Rot. Bonds1

About 6-methoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl fluoride

6-methoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl fluoride (PubChem CID 172635030) has the molecular formula C11H12FNO2 and a molecular weight of 209.22 g/mol. Its IUPAC name is 6-methoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl fluoride.

Molecular Properties

Compound Name6-methoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl fluoride
PubChem CID172635030
Molecular FormulaC11H12FNO2
Molecular Weight209.22 g/mol
Exact Mass209.09
IUPAC Name6-methoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl fluoride
SMILESCOc1ccc2c(c1)CCN(C(=O)F)C2
InChIInChI=1S/C11H12FNO2/c1-15-10-3-2-9-7-13(11(12)14)5-4-8(9)6-10/h2-3,6H,4-5,7H2,1H3
InChIKeyNFUYYWKQLRBZCU-UHFFFAOYSA-N
XLogP2.14
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.22
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

(3,5-dimethoxyphenyl)-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 110726076
phenyl 6-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 110726098
(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(4-methylphenyl)methanone
CID 110726069
(3-fluorophenyl)-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 110726071
(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-methoxyphenyl)methanone
CID 110726074
2-(2-fluorophenyl)-1-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 110726106
3-(4-fluorophenyl)-1-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one
CID 110726101
1-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-phenylpropan-1-one
CID 15718698
2,2,2-trifluoro-1-(5-methoxy-1,3-dihydroisoindol-2-yl)ethanone
CID 170005081
2-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetic acid
CID 18759834
1-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-methylphenoxy)ethanone
CID 110726113
3-(6-methoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)benzonitrile
CID 110726073

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl fluoride?
The IUPAC name of 6-methoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl fluoride (CID 172635030) is 6-methoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl fluoride.
What is the SMILES notation for 6-methoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl fluoride?
The canonical SMILES for 6-methoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl fluoride is COc1ccc2c(c1)CCN(C(=O)F)C2.
What is the InChIKey of 6-methoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl fluoride?
The InChIKey is NFUYYWKQLRBZCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO2/c1-15-10-3-2-9-7-13(11(12)14)5-4-8(9)6-10/h2-3,6H,4-5,7H2,1H3.
What are the key properties of 6-methoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl fluoride?
6-methoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl fluoride has a molecular weight of 209.22 g/mol, XLogP of 2.14, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl fluoride is sourced from PubChem (CID 172635030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).