(10Z)-10-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methylidene]-6-fluorotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-9-one

C21H19FO3 — CID 11221432

IUPAC(10Z)-10-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methylidene]-6-fluorotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-9-one
SMILESCC1(C)OC[C@@H](/C=C2\C(=O)c3cc(F)ccc3Cc3ccccc32)O1
InChIInChI=1S/C21H19FO3/c1-21(2)24-12-16(25-21)11-19-17-6-4-3-5-13(17)9-14-7-8-15(22)10-18(14)20(19)23/h3-8,10-11,16H,9,12H2,1-2H3/b19-11-/t16-/m1/s1
InChIKeyHEPXUYBWRWIIRN-VXIUPONVSA-N
MW338.38 g/mol
LogP4.15
Rot. Bonds1

About (10Z)-10-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methylidene]-6-fluorotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-9-one

(10Z)-10-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methylidene]-6-fluorotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-9-one (PubChem CID 11221432) has the molecular formula C21H19FO3 and a molecular weight of 338.38 g/mol. Its IUPAC name is (10Z)-10-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methylidene]-6-fluorotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-9-one.

Molecular Properties

Compound Name(10Z)-10-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methylidene]-6-fluorotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-9-one
PubChem CID11221432
Molecular FormulaC21H19FO3
Molecular Weight338.38 g/mol
Exact Mass338.13
IUPAC Name(10Z)-10-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methylidene]-6-fluorotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-9-one
SMILESCC1(C)OC[C@@H](/C=C2\C(=O)c3cc(F)ccc3Cc3ccccc32)O1
InChIInChI=1S/C21H19FO3/c1-21(2)24-12-16(25-21)11-19-17-6-4-3-5-13(17)9-14-7-8-15(22)10-18(14)20(19)23/h3-8,10-11,16H,9,12H2,1-2H3/b19-11-/t16-/m1/s1
InChIKeyHEPXUYBWRWIIRN-VXIUPONVSA-N
XLogP4.15
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (10Z)-10-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methylidene]-6-fluorotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-9-one with MolForge

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Related Compounds

(10R)-10-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6-fluorotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-9-one
CID 11427786
(10E)-10-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methylidene]-6-fluorotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-9-one
CID 11602502
2-[2-(1,3-Dioxolan-2-yl)-4-fluorophenyl]-1-phenylpropan-1-one
CID 138968516
ethyl (E)-2-fluoro-3-(2-methylphenyl)-4-oxo-4-phenylbut-2-enoate
CID 177852495
(11s)-11-{[(4r)-2,2-Dimethyl-1,3-dioxolan-4-yl]methyl}-8-fluoro-5,11-dihydro-10h-dibenzo[a,d]cyclohepten-10-one
CID 11530211
10-[(2,2-Dimethyl-1,3-dioxolan-4-yl)methyl]-6-fluorotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-9-one
CID 22247223
(10E)-10-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylidene]-6-fluorotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-9-one
CID 23597663
4-[3-(4-Fluorobenzoyl)-2-methylphenyl]but-2-enyl acetate
CID 54161177
10-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6-fluorotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-9-one
CID 58081404
(10E)-10-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methylidene]-6-fluorotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-9-one
CID 58081417
10-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6-fluorotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-9-one
CID 58594754
(10S)-10-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6-fluorotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-9-one
CID 58594759

Frequently Asked Questions

What is the IUPAC name of (10Z)-10-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methylidene]-6-fluorotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-9-one?
The IUPAC name of (10Z)-10-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methylidene]-6-fluorotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-9-one (CID 11221432) is (10Z)-10-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methylidene]-6-fluorotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-9-one.
What is the SMILES notation for (10Z)-10-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methylidene]-6-fluorotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-9-one?
The canonical SMILES for (10Z)-10-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methylidene]-6-fluorotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-9-one is CC1(C)OC[C@@H](/C=C2\C(=O)c3cc(F)ccc3Cc3ccccc32)O1.
What is the InChIKey of (10Z)-10-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methylidene]-6-fluorotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-9-one?
The InChIKey is HEPXUYBWRWIIRN-VXIUPONVSA-N. The full InChI is InChI=1S/C21H19FO3/c1-21(2)24-12-16(25-21)11-19-17-6-4-3-5-13(17)9-14-7-8-15(22)10-18(14)20(19)23/h3-8,10-11,16H,9,12H2,1-2H3/b19-11-/t16-/m1/s1.
What are the key properties of (10Z)-10-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methylidene]-6-fluorotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-9-one?
(10Z)-10-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methylidene]-6-fluorotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-9-one has a molecular weight of 338.38 g/mol, XLogP of 4.15, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (10Z)-10-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methylidene]-6-fluorotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-9-one is sourced from PubChem (CID 11221432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).