2-(1-fluoro-4-methylhept-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C14H26BFO2 — CID 171110036

IUPAC2-(1-fluoro-4-methylhept-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCCCC(C)CC=C(F)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C14H26BFO2/c1-7-8-11(2)9-10-12(16)15-17-13(3,4)14(5,6)18-15/h10-11H,7-9H2,1-6H3
InChIKeyYNNOPZXRUGNVNL-UHFFFAOYSA-N
MW256.17 g/mol
LogP4.30
Rot. Bonds5

About 2-(1-fluoro-4-methylhept-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-(1-fluoro-4-methylhept-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 171110036) has the molecular formula C14H26BFO2 and a molecular weight of 256.17 g/mol. Its IUPAC name is 2-(1-fluoro-4-methylhept-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-(1-fluoro-4-methylhept-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID171110036
Molecular FormulaC14H26BFO2
Molecular Weight256.17 g/mol
Exact Mass256.20
IUPAC Name2-(1-fluoro-4-methylhept-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCCCC(C)CC=C(F)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C14H26BFO2/c1-7-8-11(2)9-10-12(16)15-17-13(3,4)14(5,6)18-15/h10-11H,7-9H2,1-6H3
InChIKeyYNNOPZXRUGNVNL-UHFFFAOYSA-N
XLogP4.30
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.17
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(1-Cyclopentylethenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 90093321
4,4,5,5-Tetramethyl-2-[4-(trifluoromethyl)-1-cyclohexen-1-yl]-1,3,2-dioxaborolane
CID 11565340
2-[(E)-2-(4,4-difluorocyclohexyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 137935701
2-[(1E)-3-ethylpent-1-en-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 165646498
2-[(1R)-1-cyclohexyl-3,3-difluoroprop-2-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 177469361
(Z)-2-(2-Cyclopentylvinyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 10059394
2-(2-Cyclopentylvinyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 11831016
4,4,5,5-Tetramethyl-2-(5-methylhex-1-en-3-yl)-1,3,2-dioxaborolane
CID 91108316
2-(4-Fluoro-4-methylcyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 89746170
2-(4-(Difluoromethyl)cyclohex-1-en-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 90092796
4,4,5,5-tetramethyl-2-[(4S)-4-(trifluoromethyl)cyclohexen-1-yl]-1,3,2-dioxaborolane
CID 99738002
2-[4-(Fluoromethyl)cyclohexen-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 123316535

Frequently Asked Questions

What is the IUPAC name of 2-(1-fluoro-4-methylhept-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-(1-fluoro-4-methylhept-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 171110036) is 2-(1-fluoro-4-methylhept-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-(1-fluoro-4-methylhept-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-(1-fluoro-4-methylhept-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CCCC(C)CC=C(F)B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 2-(1-fluoro-4-methylhept-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is YNNOPZXRUGNVNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26BFO2/c1-7-8-11(2)9-10-12(16)15-17-13(3,4)14(5,6)18-15/h10-11H,7-9H2,1-6H3.
What are the key properties of 2-(1-fluoro-4-methylhept-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-(1-fluoro-4-methylhept-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 256.17 g/mol, XLogP of 4.30, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-fluoro-4-methylhept-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 171110036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).