2-[(1R)-1-cyclohexyl-3,3-difluoroprop-2-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C15H25BF2O2 — CID 177469361

IUPAC2-[(1R)-1-cyclohexyl-3,3-difluoroprop-2-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB([C@@H](C=C(F)F)C2CCCCC2)OC1(C)C
InChIInChI=1S/C15H25BF2O2/c1-14(2)15(3,4)20-16(19-14)12(10-13(17)18)11-8-6-5-7-9-11/h10-12H,5-9H2,1-4H3/t12-/m0/s1
InChIKeySSJIUZAQIRGMHO-LBPRGKRZSA-N
MW286.17 g/mol
LogP4.81
Rot. Bonds3

About 2-[(1R)-1-cyclohexyl-3,3-difluoroprop-2-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-[(1R)-1-cyclohexyl-3,3-difluoroprop-2-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 177469361) has the molecular formula C15H25BF2O2 and a molecular weight of 286.17 g/mol. Its IUPAC name is 2-[(1R)-1-cyclohexyl-3,3-difluoroprop-2-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-[(1R)-1-cyclohexyl-3,3-difluoroprop-2-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID177469361
Molecular FormulaC15H25BF2O2
Molecular Weight286.17 g/mol
Exact Mass286.19
IUPAC Name2-[(1R)-1-cyclohexyl-3,3-difluoroprop-2-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB([C@@H](C=C(F)F)C2CCCCC2)OC1(C)C
InChIInChI=1S/C15H25BF2O2/c1-14(2)15(3,4)20-16(19-14)12(10-13(17)18)11-8-6-5-7-9-11/h10-12H,5-9H2,1-4H3/t12-/m0/s1
InChIKeySSJIUZAQIRGMHO-LBPRGKRZSA-N
XLogP4.81
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 54.81
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

(E)-2-(2-cyclohexylvinyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 12066515
2-(1-Cyclohexylethenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 10966489
4,4,5,5-Tetramethyl-2-[4-(trifluoromethyl)-1-cyclohexen-1-yl]-1,3,2-dioxaborolane
CID 11565340
2-[(E)-2-(4,4-difluorocyclohexyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 137935701
2-[(3R)-1,1-difluoronon-1-en-3-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 177421331
2-((1E)-2-Cyclohexyl-1-propen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 138979210
2-(4-(Difluoromethyl)cyclohex-1-en-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 90092796
4,4,5,5-tetramethyl-2-[(4S)-4-(trifluoromethyl)cyclohexen-1-yl]-1,3,2-dioxaborolane
CID 99738002
2-[(E)-2-(4-fluoro-4-methylcyclohexyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 153542019
4,4,5,5-Tetramethyl-2-((E)-2-((1r,4r)-4-(trifluoromethyl)cyclohexyl)vinyl)-1,3,2-dioxaborolane
CID 156741241
Ethane;4,4,5,5-tetramethyl-2-[4-(trifluoromethyl)cyclohexen-1-yl]-1,3,2-dioxaborolane
CID 170757577
CID 171371447
CID 171371447

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-cyclohexyl-3,3-difluoroprop-2-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-[(1R)-1-cyclohexyl-3,3-difluoroprop-2-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 177469361) is 2-[(1R)-1-cyclohexyl-3,3-difluoroprop-2-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-[(1R)-1-cyclohexyl-3,3-difluoroprop-2-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-[(1R)-1-cyclohexyl-3,3-difluoroprop-2-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC1(C)OB([C@@H](C=C(F)F)C2CCCCC2)OC1(C)C.
What is the InChIKey of 2-[(1R)-1-cyclohexyl-3,3-difluoroprop-2-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is SSJIUZAQIRGMHO-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H25BF2O2/c1-14(2)15(3,4)20-16(19-14)12(10-13(17)18)11-8-6-5-7-9-11/h10-12H,5-9H2,1-4H3/t12-/m0/s1.
What are the key properties of 2-[(1R)-1-cyclohexyl-3,3-difluoroprop-2-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-[(1R)-1-cyclohexyl-3,3-difluoroprop-2-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 286.17 g/mol, XLogP of 4.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-cyclohexyl-3,3-difluoroprop-2-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 177469361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).