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

C15H28BFO2 — CID 171110432

IUPAC2-(1-fluoro-3,3-dimethylhept-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCCCCC(C)(C)C=C(F)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C15H28BFO2/c1-8-9-10-13(2,3)11-12(17)16-18-14(4,5)15(6,7)19-16/h11H,8-10H2,1-7H3
InChIKeyXAOIWVQFYZHYNH-UHFFFAOYSA-N
MW270.20 g/mol
LogP4.69
Rot. Bonds5

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

2-(1-fluoro-3,3-dimethylhept-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 171110432) has the molecular formula C15H28BFO2 and a molecular weight of 270.20 g/mol. Its IUPAC name is 2-(1-fluoro-3,3-dimethylhept-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-(1-fluoro-3,3-dimethylhept-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID171110432
Molecular FormulaC15H28BFO2
Molecular Weight270.20 g/mol
Exact Mass270.22
IUPAC Name2-(1-fluoro-3,3-dimethylhept-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCCCCC(C)(C)C=C(F)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C15H28BFO2/c1-8-9-10-13(2,3)11-12(17)16-18-14(4,5)15(6,7)19-16/h11H,8-10H2,1-7H3
InChIKeyXAOIWVQFYZHYNH-UHFFFAOYSA-N
XLogP4.69
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.20
LogP ≤ 54.69
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-(4,4-Bis(fluoromethyl)cyclohex-1-en-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 90092792
2-(4-Fluoromethyl-4-methylcyclohex-1-enyl)-4,4,5,5-tetramethyl-[1,3,2]dioxaborolane
CID 90092853
2-[(Z)-1-fluoropent-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 164530123
2-(3,3-Dimethylpent-4-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 101146654
4,4,5,5-Tetramethyl-2-(3l5-octa-2,3-dien-4-yl)-1,3,2-dioxaborolane
CID 102027371
2-(1-Fluoro-6-methoxy-5,5-dimethylhex-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 171109914
2-[1-Fluoro-2-[1-(trifluoromethyl)cyclopentyl]ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 171109954
2-(1,5-Difluoro-3,3-dimethylpent-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 171109995
2-[4-(2,2-Difluorocyclopropyl)-1-fluoro-3,3-dimethylbut-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 171110001
4,4,5,5-Tetramethyl-2-(1,6,6,6-tetrafluoro-3,3-dimethylhex-1-enyl)-1,3,2-dioxaborolane
CID 171110003
2-[2-[3-(Difluoromethyl)-3-methylcyclobutyl]-1-fluoroethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 171110013
2-(1-Fluoro-5-methyl-3-propan-2-ylhex-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 171110015

Frequently Asked Questions

What is the IUPAC name of 2-(1-fluoro-3,3-dimethylhept-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-(1-fluoro-3,3-dimethylhept-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 171110432) is 2-(1-fluoro-3,3-dimethylhept-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-(1-fluoro-3,3-dimethylhept-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-(1-fluoro-3,3-dimethylhept-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CCCCC(C)(C)C=C(F)B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 2-(1-fluoro-3,3-dimethylhept-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is XAOIWVQFYZHYNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28BFO2/c1-8-9-10-13(2,3)11-12(17)16-18-14(4,5)15(6,7)19-16/h11H,8-10H2,1-7H3.
What are the key properties of 2-(1-fluoro-3,3-dimethylhept-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-(1-fluoro-3,3-dimethylhept-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 270.20 g/mol, XLogP of 4.69, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-fluoro-3,3-dimethylhept-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 171110432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).