2-[(1E,3E)-5-cyclohexyl-4-fluoropenta-1,3-dienyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C17H28BFO2 — CID 102380425

IUPAC2-[(1E,3E)-5-cyclohexyl-4-fluoropenta-1,3-dienyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(/C=C/C=C(/F)CC2CCCCC2)OC1(C)C
InChIInChI=1S/C17H28BFO2/c1-16(2)17(3,4)21-18(20-16)12-8-11-15(19)13-14-9-6-5-7-10-14/h8,11-12,14H,5-7,9-10,13H2,1-4H3/b12-8+,15-11+
InChIKeyJNZZAJMDAKZQNB-HRVWGNOLSA-N
MW294.22 g/mol
LogP5.00
Rot. Bonds4

About 2-[(1E,3E)-5-cyclohexyl-4-fluoropenta-1,3-dienyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-[(1E,3E)-5-cyclohexyl-4-fluoropenta-1,3-dienyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 102380425) has the molecular formula C17H28BFO2 and a molecular weight of 294.22 g/mol. Its IUPAC name is 2-[(1E,3E)-5-cyclohexyl-4-fluoropenta-1,3-dienyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-[(1E,3E)-5-cyclohexyl-4-fluoropenta-1,3-dienyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID102380425
Molecular FormulaC17H28BFO2
Molecular Weight294.22 g/mol
Exact Mass294.22
IUPAC Name2-[(1E,3E)-5-cyclohexyl-4-fluoropenta-1,3-dienyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(/C=C/C=C(/F)CC2CCCCC2)OC1(C)C
InChIInChI=1S/C17H28BFO2/c1-16(2)17(3,4)21-18(20-16)12-8-11-15(19)13-14-9-6-5-7-10-14/h8,11-12,14H,5-7,9-10,13H2,1-4H3/b12-8+,15-11+
InChIKeyJNZZAJMDAKZQNB-HRVWGNOLSA-N
XLogP5.00
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.22
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(Fluoromethyl)cyclohexen-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 123316535
2-(5,5-difluoro-1-methyl-2,6,7,8-tetrahydro-1H-naphthalen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 123658778
2-(4-Fluoro-4-prop-2-enylcyclohexen-1-yl)-4,4,5-trimethyl-5-propan-2-yl-1,3,2-dioxaborolane
CID 145231243
2-[(1Z,5E,7Z)-6-fluorocycloocta-1,5,7-trien-1-yl]-4,4,5-trimethyl-5-propan-2-yl-1,3,2-dioxaborolane
CID 155583765
2-(8,8-difluoro-4-methyl-4a,5,6,7-tetrahydro-4H-naphthalen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 164008442
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
2-[(4R)-4-(fluoromethyl)cyclohexen-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 173604197
2-[4-(2,2-Difluorocyclopropyl)cyclohexa-1,5-dien-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 173761026
2-(3-Fluoro-5-methyl-6-propan-2-ylcyclohexa-1,3-dien-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 175742718
2-[3-Fluoro-5-methyl-6-(2-methylpropyl)cyclohexa-1,3-dien-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 175746466
2-[(Z)-1-cyclohexylprop-1-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 87418507
2-[(E)-3-cyclohexylprop-2-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 102346248

Frequently Asked Questions

What is the IUPAC name of 2-[(1E,3E)-5-cyclohexyl-4-fluoropenta-1,3-dienyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-[(1E,3E)-5-cyclohexyl-4-fluoropenta-1,3-dienyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 102380425) is 2-[(1E,3E)-5-cyclohexyl-4-fluoropenta-1,3-dienyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-[(1E,3E)-5-cyclohexyl-4-fluoropenta-1,3-dienyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-[(1E,3E)-5-cyclohexyl-4-fluoropenta-1,3-dienyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC1(C)OB(/C=C/C=C(/F)CC2CCCCC2)OC1(C)C.
What is the InChIKey of 2-[(1E,3E)-5-cyclohexyl-4-fluoropenta-1,3-dienyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is JNZZAJMDAKZQNB-HRVWGNOLSA-N. The full InChI is InChI=1S/C17H28BFO2/c1-16(2)17(3,4)21-18(20-16)12-8-11-15(19)13-14-9-6-5-7-10-14/h8,11-12,14H,5-7,9-10,13H2,1-4H3/b12-8+,15-11+.
What are the key properties of 2-[(1E,3E)-5-cyclohexyl-4-fluoropenta-1,3-dienyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-[(1E,3E)-5-cyclohexyl-4-fluoropenta-1,3-dienyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 294.22 g/mol, XLogP of 5.00, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1E,3E)-5-cyclohexyl-4-fluoropenta-1,3-dienyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 102380425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).