2-(1,5-difluoro-5-methylhex-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C13H23BF2O2 — CID 171110181

IUPAC2-(1,5-difluoro-5-methylhex-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC(C)(F)CCC=C(F)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C13H23BF2O2/c1-11(2,16)9-7-8-10(15)14-17-12(3,4)13(5,6)18-14/h8H,7,9H2,1-6H3
InChIKeyUPXGNAQUKJDFFQ-UHFFFAOYSA-N
MW260.13 g/mol
LogP4.00
Rot. Bonds4

About 2-(1,5-difluoro-5-methylhex-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-(1,5-difluoro-5-methylhex-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 171110181) has the molecular formula C13H23BF2O2 and a molecular weight of 260.13 g/mol. Its IUPAC name is 2-(1,5-difluoro-5-methylhex-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-(1,5-difluoro-5-methylhex-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID171110181
Molecular FormulaC13H23BF2O2
Molecular Weight260.13 g/mol
Exact Mass260.18
IUPAC Name2-(1,5-difluoro-5-methylhex-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC(C)(F)CCC=C(F)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C13H23BF2O2/c1-11(2,16)9-7-8-10(15)14-17-12(3,4)13(5,6)18-14/h8H,7,9H2,1-6H3
InChIKeyUPXGNAQUKJDFFQ-UHFFFAOYSA-N
XLogP4.00
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.13
LogP ≤ 54.00
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-[(E)-hex-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 11106616
2-[(Z)-hex-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 10104536
2-[(3R)-1,1-difluoronon-1-en-3-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 177421331
4,4,5,5-Tetramethyl-2-(5-methylhex-1-en-3-yl)-1,3,2-dioxaborolane
CID 91108316
4,4,5,5-Tetramethyl-2-(4,4,4-trifluorobut-1-en-2-yl)-1,3,2-dioxaborolane
CID 145199862
2-[(Z)-1-fluoropent-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 164530123
4-(4-Fluorobut-3-enyl)-2-(3-fluoroprop-2-enyl)-4,5,5-trimethyl-1,3,2-dioxaborolane
CID 168155011
2-[(3S)-hex-1-en-3-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 52921336
2-Hex-1-enyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;iodozinc(1+)
CID 92040167
4,4,5,5-tetramethyl-2-[(3S)-5-methylhex-1-en-3-yl]-1,3,2-dioxaborolane
CID 101449664
2-(Hex-5-en-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 101927692
4,4,5,5-Tetramethyl-2-(3l5-octa-2,3-dien-4-yl)-1,3,2-dioxaborolane
CID 102027371

Frequently Asked Questions

What is the IUPAC name of 2-(1,5-difluoro-5-methylhex-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-(1,5-difluoro-5-methylhex-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 171110181) is 2-(1,5-difluoro-5-methylhex-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-(1,5-difluoro-5-methylhex-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-(1,5-difluoro-5-methylhex-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC(C)(F)CCC=C(F)B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 2-(1,5-difluoro-5-methylhex-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is UPXGNAQUKJDFFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23BF2O2/c1-11(2,16)9-7-8-10(15)14-17-12(3,4)13(5,6)18-14/h8H,7,9H2,1-6H3.
What are the key properties of 2-(1,5-difluoro-5-methylhex-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-(1,5-difluoro-5-methylhex-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 260.13 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,5-difluoro-5-methylhex-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 171110181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).