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

C15H28BFO2 — CID 171110433

IUPAC2-(1-fluoro-3,3,5-trimethylhex-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC(C)CC(C)(C)C=C(F)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C15H28BFO2/c1-11(2)9-13(3,4)10-12(17)16-18-14(5,6)15(7,8)19-16/h10-11H,9H2,1-8H3
InChIKeyHZMSPGUSJYVLLW-UHFFFAOYSA-N
MW270.20 g/mol
LogP4.54
Rot. Bonds4

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

2-(1-fluoro-3,3,5-trimethylhex-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 171110433) has the molecular formula C15H28BFO2 and a molecular weight of 270.20 g/mol. Its IUPAC name is 2-(1-fluoro-3,3,5-trimethylhex-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-(1-fluoro-3,3,5-trimethylhex-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID171110433
Molecular FormulaC15H28BFO2
Molecular Weight270.20 g/mol
Exact Mass270.22
IUPAC Name2-(1-fluoro-3,3,5-trimethylhex-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC(C)CC(C)(C)C=C(F)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C15H28BFO2/c1-11(2)9-13(3,4)10-12(17)16-18-14(5,6)15(7,8)19-16/h10-11H,9H2,1-8H3
InChIKeyHZMSPGUSJYVLLW-UHFFFAOYSA-N
XLogP4.54
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.20
LogP ≤ 54.54
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

4,4,5,5-Tetramethyl-2-(5-methylhex-1-en-3-yl)-1,3,2-dioxaborolane
CID 91108316
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
2-(3-Tert-butylpent-4-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 101154895
4,4,5,5-tetramethyl-2-[(3S)-5-methylhex-1-en-3-yl]-1,3,2-dioxaborolane
CID 101449664
4,4,5,5-Tetramethyl-2-(3l5-octa-2,3-dien-4-yl)-1,3,2-dioxaborolane
CID 102027371
2-(2-Cyclopropyl-1-fluoroethenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 171109674
2-(1-Fluoro-6-methoxy-5,5-dimethylhex-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 171109914
4,4,5,5-Tetramethyl-2-(1,6,6,6-tetrafluoro-3-methylhex-1-enyl)-1,3,2-dioxaborolane
CID 171109941
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

Frequently Asked Questions

What is the IUPAC name of 2-(1-fluoro-3,3,5-trimethylhex-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-(1-fluoro-3,3,5-trimethylhex-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 171110433) is 2-(1-fluoro-3,3,5-trimethylhex-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-(1-fluoro-3,3,5-trimethylhex-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-(1-fluoro-3,3,5-trimethylhex-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC(C)CC(C)(C)C=C(F)B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 2-(1-fluoro-3,3,5-trimethylhex-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is HZMSPGUSJYVLLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28BFO2/c1-11(2)9-13(3,4)10-12(17)16-18-14(5,6)15(7,8)19-16/h10-11H,9H2,1-8H3.
What are the key properties of 2-(1-fluoro-3,3,5-trimethylhex-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-(1-fluoro-3,3,5-trimethylhex-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 270.20 g/mol, XLogP of 4.54, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-fluoro-3,3,5-trimethylhex-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 171110433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).