2-cyclopentyl-6-[2-(fluoromethylidene)butoxy]-3,4-dihydroisoquinolin-1-one

C19H24FNO2 — CID 160534743

IUPAC2-cyclopentyl-6-[2-(fluoromethylidene)butoxy]-3,4-dihydroisoquinolin-1-one
SMILESCCC(=CF)COc1ccc2c(c1)CCN(C1CCCC1)C2=O
InChIInChI=1S/C19H24FNO2/c1-2-14(12-20)13-23-17-7-8-18-15(11-17)9-10-21(19(18)22)16-5-3-4-6-16/h7-8,11-12,16H,2-6,9-10,13H2,1H3
InChIKeyCNOJBHNZXBAIRO-UHFFFAOYSA-N
MW317.40 g/mol
LogP4.27
Rot. Bonds5

About 2-cyclopentyl-6-[2-(fluoromethylidene)butoxy]-3,4-dihydroisoquinolin-1-one

2-cyclopentyl-6-[2-(fluoromethylidene)butoxy]-3,4-dihydroisoquinolin-1-one (PubChem CID 160534743) has the molecular formula C19H24FNO2 and a molecular weight of 317.40 g/mol. Its IUPAC name is 2-cyclopentyl-6-[2-(fluoromethylidene)butoxy]-3,4-dihydroisoquinolin-1-one.

Molecular Properties

Compound Name2-cyclopentyl-6-[2-(fluoromethylidene)butoxy]-3,4-dihydroisoquinolin-1-one
PubChem CID160534743
Molecular FormulaC19H24FNO2
Molecular Weight317.40 g/mol
Exact Mass317.18
IUPAC Name2-cyclopentyl-6-[2-(fluoromethylidene)butoxy]-3,4-dihydroisoquinolin-1-one
SMILESCCC(=CF)COc1ccc2c(c1)CCN(C1CCCC1)C2=O
InChIInChI=1S/C19H24FNO2/c1-2-14(12-20)13-23-17-7-8-18-15(11-17)9-10-21(19(18)22)16-5-3-4-6-16/h7-8,11-12,16H,2-6,9-10,13H2,1H3
InChIKeyCNOJBHNZXBAIRO-UHFFFAOYSA-N
XLogP4.27
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-6-[2-(fluoromethylidene)butoxy]-3,4-dihydroisoquinolin-1-one?
The IUPAC name of 2-cyclopentyl-6-[2-(fluoromethylidene)butoxy]-3,4-dihydroisoquinolin-1-one (CID 160534743) is 2-cyclopentyl-6-[2-(fluoromethylidene)butoxy]-3,4-dihydroisoquinolin-1-one.
What is the SMILES notation for 2-cyclopentyl-6-[2-(fluoromethylidene)butoxy]-3,4-dihydroisoquinolin-1-one?
The canonical SMILES for 2-cyclopentyl-6-[2-(fluoromethylidene)butoxy]-3,4-dihydroisoquinolin-1-one is CCC(=CF)COc1ccc2c(c1)CCN(C1CCCC1)C2=O.
What is the InChIKey of 2-cyclopentyl-6-[2-(fluoromethylidene)butoxy]-3,4-dihydroisoquinolin-1-one?
The InChIKey is CNOJBHNZXBAIRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FNO2/c1-2-14(12-20)13-23-17-7-8-18-15(11-17)9-10-21(19(18)22)16-5-3-4-6-16/h7-8,11-12,16H,2-6,9-10,13H2,1H3.
What are the key properties of 2-cyclopentyl-6-[2-(fluoromethylidene)butoxy]-3,4-dihydroisoquinolin-1-one?
2-cyclopentyl-6-[2-(fluoromethylidene)butoxy]-3,4-dihydroisoquinolin-1-one has a molecular weight of 317.40 g/mol, XLogP of 4.27, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-6-[2-(fluoromethylidene)butoxy]-3,4-dihydroisoquinolin-1-one is sourced from PubChem (CID 160534743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).