2-(4,4-difluorocyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;ethane

C14H25BF2O2 — CID 145231185

IUPAC2-(4,4-difluorocyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;ethane
SMILESCC.CC1(C)OB(C2=CCC(F)(F)CC2)OC1(C)C
InChIInChI=1S/C12H19BF2O2.C2H6/c1-10(2)11(3,4)17-13(16-10)9-5-7-12(14,15)8-6-9;1-2/h5H,6-8H2,1-4H3;1-2H3
InChIKeyFQLBZFDDRFNTGZ-UHFFFAOYSA-N
MW274.16 g/mol
LogP4.39
Rot. Bonds1

About 2-(4,4-difluorocyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;ethane

2-(4,4-difluorocyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;ethane (PubChem CID 145231185) has the molecular formula C14H25BF2O2 and a molecular weight of 274.16 g/mol. Its IUPAC name is 2-(4,4-difluorocyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;ethane.

Molecular Properties

Compound Name2-(4,4-difluorocyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;ethane
PubChem CID145231185
Molecular FormulaC14H25BF2O2
Molecular Weight274.16 g/mol
Exact Mass274.19
IUPAC Name2-(4,4-difluorocyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;ethane
SMILESCC.CC1(C)OB(C2=CCC(F)(F)CC2)OC1(C)C
InChIInChI=1S/C12H19BF2O2.C2H6/c1-10(2)11(3,4)17-13(16-10)9-5-7-12(14,15)8-6-9;1-2/h5H,6-8H2,1-4H3;1-2H3
InChIKeyFQLBZFDDRFNTGZ-UHFFFAOYSA-N
XLogP4.39
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.16
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(4,4-difluorocyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;ethane with MolForge

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Related Compounds

2-(Cyclohex-1-en-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 10932675
4,4,5,5-Tetramethyl-2-(4-methylcyclohex-1-en-1-yl)-1,3,2-dioxaborolane
CID 58924635
4,4,5,5-Tetramethyl-2-[4-(trifluoromethyl)-1-cyclohexen-1-yl]-1,3,2-dioxaborolane
CID 11565340
2-(4,4-Difluorocyclohex-1-en-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 59351393
4,4,5,5-Tetramethyl-2-[4-(propan-2-yl)cyclohex-1-en-1-yl]-1,3,2-dioxaborolane
CID 74788596
2-((4,4-Difluorocyclohexylidene)methyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 155291396
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
2-Cyclohex-2-en-1-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 11252761
2-[(E)-hept-2-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 66886420
2-(Cyclohex-3-en-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 102493054
2-[4,4-Bis(fluoromethyl)cyclohexa-2,5-dien-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 67460384

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluorocyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;ethane?
The IUPAC name of 2-(4,4-difluorocyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;ethane (CID 145231185) is 2-(4,4-difluorocyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;ethane.
What is the SMILES notation for 2-(4,4-difluorocyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;ethane?
The canonical SMILES for 2-(4,4-difluorocyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;ethane is CC.CC1(C)OB(C2=CCC(F)(F)CC2)OC1(C)C.
What is the InChIKey of 2-(4,4-difluorocyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;ethane?
The InChIKey is FQLBZFDDRFNTGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BF2O2.C2H6/c1-10(2)11(3,4)17-13(16-10)9-5-7-12(14,15)8-6-9;1-2/h5H,6-8H2,1-4H3;1-2H3.
What are the key properties of 2-(4,4-difluorocyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;ethane?
2-(4,4-difluorocyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;ethane has a molecular weight of 274.16 g/mol, XLogP of 4.39, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluorocyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;ethane is sourced from PubChem (CID 145231185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).