2-[(Z,1Z)-1-(4-fluoro-5,6-dimethylcyclohexa-2,4-dien-1-ylidene)but-2-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C18H26BFO2 — CID 164534919

IUPAC2-[(Z,1Z)-1-(4-fluoro-5,6-dimethylcyclohexa-2,4-dien-1-ylidene)but-2-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESC/C=C(\C=C1\C=CC(F)=C(C)C1C)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C18H26BFO2/c1-8-15(19-21-17(4,5)18(6,7)22-19)11-14-9-10-16(20)13(3)12(14)2/h8-12H,1-7H3/b14-11-,15-8+
InChIKeyLWVJWORLZJOSDV-WFVWYMPTSA-N
MW304.21 g/mol
LogP4.94
Rot. Bonds2

About 2-[(Z,1Z)-1-(4-fluoro-5,6-dimethylcyclohexa-2,4-dien-1-ylidene)but-2-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-[(Z,1Z)-1-(4-fluoro-5,6-dimethylcyclohexa-2,4-dien-1-ylidene)but-2-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 164534919) has the molecular formula C18H26BFO2 and a molecular weight of 304.21 g/mol. Its IUPAC name is 2-[(Z,1Z)-1-(4-fluoro-5,6-dimethylcyclohexa-2,4-dien-1-ylidene)but-2-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-[(Z,1Z)-1-(4-fluoro-5,6-dimethylcyclohexa-2,4-dien-1-ylidene)but-2-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID164534919
Molecular FormulaC18H26BFO2
Molecular Weight304.21 g/mol
Exact Mass304.20
IUPAC Name2-[(Z,1Z)-1-(4-fluoro-5,6-dimethylcyclohexa-2,4-dien-1-ylidene)but-2-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESC/C=C(\C=C1\C=CC(F)=C(C)C1C)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C18H26BFO2/c1-8-15(19-21-17(4,5)18(6,7)22-19)11-14-9-10-16(20)13(3)12(14)2/h8-12H,1-7H3/b14-11-,15-8+
InChIKeyLWVJWORLZJOSDV-WFVWYMPTSA-N
XLogP4.94
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.21
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(Z,1Z)-1-(4-fluoro-5,6-dimethylcyclohexa-2,4-dien-1-ylidene)but-2-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(Z,1Z)-1-(4-fluoro-5,6-dimethylcyclohexa-2,4-dien-1-ylidene)but-2-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-[(Z,1Z)-1-(4-fluoro-5,6-dimethylcyclohexa-2,4-dien-1-ylidene)but-2-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 164534919) is 2-[(Z,1Z)-1-(4-fluoro-5,6-dimethylcyclohexa-2,4-dien-1-ylidene)but-2-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-[(Z,1Z)-1-(4-fluoro-5,6-dimethylcyclohexa-2,4-dien-1-ylidene)but-2-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-[(Z,1Z)-1-(4-fluoro-5,6-dimethylcyclohexa-2,4-dien-1-ylidene)but-2-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is C/C=C(\C=C1\C=CC(F)=C(C)C1C)B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 2-[(Z,1Z)-1-(4-fluoro-5,6-dimethylcyclohexa-2,4-dien-1-ylidene)but-2-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is LWVJWORLZJOSDV-WFVWYMPTSA-N. The full InChI is InChI=1S/C18H26BFO2/c1-8-15(19-21-17(4,5)18(6,7)22-19)11-14-9-10-16(20)13(3)12(14)2/h8-12H,1-7H3/b14-11-,15-8+.
What are the key properties of 2-[(Z,1Z)-1-(4-fluoro-5,6-dimethylcyclohexa-2,4-dien-1-ylidene)but-2-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-[(Z,1Z)-1-(4-fluoro-5,6-dimethylcyclohexa-2,4-dien-1-ylidene)but-2-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 304.21 g/mol, XLogP of 4.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z,1Z)-1-(4-fluoro-5,6-dimethylcyclohexa-2,4-dien-1-ylidene)but-2-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 164534919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).