5H-1,3-Dioxolo(4,5-b)carbazole, 6,7,8,9-tetrahydro-5-(m-fluorobenzoyl)-

HCID 39622

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Basic information

CAS: 50332-20-2
Standard SMILES: O=C(c1cccc(F)c1)n1c2c(c3cc4c(cc31)OCO4)CCCC2
InChIKey: DQIZFMLGQGHIIC-UHFFFAOYSA-N
Molecular formula: C20H16FNO3
Average molar mass: 337.3 g/mol
Monoisotopic mass: 337.11142153

Names & identifiers

Preferred name: 5H-1,3-Dioxolo(4,5-b)carbazole, 6,7,8,9-tetrahydro-5-(m-fluorobenzoyl)-
IUPAC: (3-fluorophenyl)-(5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-b]carbazol-9-yl)methanone
English name: 5-(3-Fluorobenzoyl)-6,7,8,9-tetrahydro-5H-1,3-dioxolo[4,5-b]carbazole
Molecular formula: C20H16FNO3
Molecular weight: 337.34

Names & synonyms

50332-20-2BRN 10370455H-1,3-DIOXOLO(4,5-b)CARBAZOLE, 6,7,8,9-TETRAHYDRO-5-(m-FLUOROBENZOYL)-DTXSID501983655-(m-Fluorobenzoyl)-6,7,8,9-tetrahydro-5H-1,3-dioxolo(4,5-b)carbazoleRefChem:305228DTXCID801208565-(3-Fluorobenzoyl)-6,7,8,9-tetrahydro-5H-1,3-dioxolo[4,5-b]carbazoleDB-263307(3-Fluorophenyl)(6,7,8,9-tetrahydro-2H,5H-[1,3]dioxolo[4,5-b]carbazol-5-yl)methanoneMethanone, (3-fluorophenyl)(6,7,8,9-tetrahydro-5H-1,3-dioxolo[4,5-b]carbazol-5-yl)-

Database identifiers

CAS: 50332-20-2
PubChem CID: 39622
DTXSID: DTXSID50198365
Nikkaji: J83.723G

Properties

Computed structural properties

XLogP: 4.7
Topological polar surface area: 40.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 25
Formal charge: 0
Complexity: 529

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