2-[(Z)-6,6-difluorohex-2-en-3-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C12H21BF2O2 — CID 170757565

IUPAC2-[(Z)-6,6-difluorohex-2-en-3-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESC/C=C(\CCC(F)F)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C12H21BF2O2/c1-6-9(7-8-10(14)15)13-16-11(2,3)12(4,5)17-13/h6,10H,7-8H2,1-5H3/b9-6+
InChIKeyYYYGUDZVWORFSY-RMKNXTFCSA-N
MW246.11 g/mol
LogP3.61
Rot. Bonds4

About 2-[(Z)-6,6-difluorohex-2-en-3-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-[(Z)-6,6-difluorohex-2-en-3-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 170757565) has the molecular formula C12H21BF2O2 and a molecular weight of 246.11 g/mol. Its IUPAC name is 2-[(Z)-6,6-difluorohex-2-en-3-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-[(Z)-6,6-difluorohex-2-en-3-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID170757565
Molecular FormulaC12H21BF2O2
Molecular Weight246.11 g/mol
Exact Mass246.16
IUPAC Name2-[(Z)-6,6-difluorohex-2-en-3-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESC/C=C(\CCC(F)F)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C12H21BF2O2/c1-6-9(7-8-10(14)15)13-16-11(2,3)12(4,5)17-13/h6,10H,7-8H2,1-5H3/b9-6+
InChIKeyYYYGUDZVWORFSY-RMKNXTFCSA-N
XLogP3.61
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.11
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(Z)-6,6-difluorohex-2-en-3-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane with MolForge

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Related Compounds

2-(Cyclopent-1-en-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 15486611
4,4,5,5-Tetramethyl-2-[4-(trifluoromethyl)-1-cyclohexen-1-yl]-1,3,2-dioxaborolane
CID 11565340
4,4,5,5-tetramethyl-2-((2Z)-pent-2-en-3-yl)-1,3,2-dioxaborolane
CID 58548511
2-(4,4-Difluorocyclohex-1-en-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 59351393
(Z)-4,4,5,5-tetramethyl-2-(oct-4-en-4-yl)-1,3,2-dioxaborolane
CID 11264894
4,4,5,5-tetramethyl-2-[(E)-pent-3-en-2-yl]-1,3,2-dioxaborolane
CID 21771552
4,4,5,5-tetramethyl-2-[(E,5R)-9,9,10,10,11,11,12,12,12-nonafluorododec-6-en-5-yl]-1,3,2-dioxaborolane
CID 146165125
(Z)-4,4,5,5-tetramethyl-2-(3,4,4,5,5,6,6,6-octafluorohex-2-en-1-yl)-1,3,2-dioxabo-ro-lane
CID 165415753
(E)-4,4,5,5-tetramethyl-2-(4,4,4-trifluorobut-2-en-1-yl)-1,3,2-dioxaborolane
CID 165415799
(Z)-2-(hex-3-en-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 10943741
2-[(E)-hex-2-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 15748687
2-[(E)-hept-2-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 66886420

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-6,6-difluorohex-2-en-3-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-[(Z)-6,6-difluorohex-2-en-3-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 170757565) is 2-[(Z)-6,6-difluorohex-2-en-3-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-[(Z)-6,6-difluorohex-2-en-3-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-[(Z)-6,6-difluorohex-2-en-3-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is C/C=C(\CCC(F)F)B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 2-[(Z)-6,6-difluorohex-2-en-3-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is YYYGUDZVWORFSY-RMKNXTFCSA-N. The full InChI is InChI=1S/C12H21BF2O2/c1-6-9(7-8-10(14)15)13-16-11(2,3)12(4,5)17-13/h6,10H,7-8H2,1-5H3/b9-6+.
What are the key properties of 2-[(Z)-6,6-difluorohex-2-en-3-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-[(Z)-6,6-difluorohex-2-en-3-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 246.11 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-6,6-difluorohex-2-en-3-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 170757565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).