2-(3-ethyl-1,5,5,5-tetrafluoropent-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C13H21BF4O2 — CID 171109988

IUPAC2-(3-ethyl-1,5,5,5-tetrafluoropent-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCCC(C=C(F)B1OC(C)(C)C(C)(C)O1)CC(F)(F)F
InChIInChI=1S/C13H21BF4O2/c1-6-9(8-13(16,17)18)7-10(15)14-19-11(2,3)12(4,5)20-14/h7,9H,6,8H2,1-5H3
InChIKeyLOSGETFHCLYMJY-UHFFFAOYSA-N
MW296.11 g/mol
LogP4.45
Rot. Bonds4

About 2-(3-ethyl-1,5,5,5-tetrafluoropent-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-(3-ethyl-1,5,5,5-tetrafluoropent-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 171109988) has the molecular formula C13H21BF4O2 and a molecular weight of 296.11 g/mol. Its IUPAC name is 2-(3-ethyl-1,5,5,5-tetrafluoropent-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-(3-ethyl-1,5,5,5-tetrafluoropent-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID171109988
Molecular FormulaC13H21BF4O2
Molecular Weight296.11 g/mol
Exact Mass296.16
IUPAC Name2-(3-ethyl-1,5,5,5-tetrafluoropent-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCCC(C=C(F)B1OC(C)(C)C(C)(C)O1)CC(F)(F)F
InChIInChI=1S/C13H21BF4O2/c1-6-9(8-13(16,17)18)7-10(15)14-19-11(2,3)12(4,5)20-14/h7,9H,6,8H2,1-5H3
InChIKeyLOSGETFHCLYMJY-UHFFFAOYSA-N
XLogP4.45
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.11
LogP ≤ 54.45
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-[(Z)-1-fluoropent-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 164530123
2-[1-fluoro-2-[2-(3,3,3-trifluoropropoxy)phenyl]ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 171111428
(Z)-4-ethyl-1,1,1,2-tetrafluorohex-2-ene
CID 167317158
4,4,5,5-tetramethyl-2-pentan-3-yl-1,3,2-dioxaborolane
CID 56926967
4,4,5,5-tetramethyl-2-pent-2-en-3-yl-1,3,2-dioxaborolane
CID 76819365
2-[1-fluoro-2-[4-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 171109918
4-[2-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]benzoic acid
CID 171111325
2-ethylsulfanyl-5-[2-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyrimidine
CID 171109689
2-[1-fluoro-3-methyl-3-(oxan-4-yl)but-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 171110458
2-[4-(4-chlorophenyl)-1-fluoro-3,3-dimethylbut-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 171110451
2-[1-fluoro-2-[2,3,4-trifluoro-6-(trifluoromethyl)phenyl]ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 171111180
4-[2-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine
CID 171109752

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-1,5,5,5-tetrafluoropent-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-(3-ethyl-1,5,5,5-tetrafluoropent-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 171109988) is 2-(3-ethyl-1,5,5,5-tetrafluoropent-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-(3-ethyl-1,5,5,5-tetrafluoropent-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-(3-ethyl-1,5,5,5-tetrafluoropent-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CCC(C=C(F)B1OC(C)(C)C(C)(C)O1)CC(F)(F)F.
What is the InChIKey of 2-(3-ethyl-1,5,5,5-tetrafluoropent-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is LOSGETFHCLYMJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BF4O2/c1-6-9(8-13(16,17)18)7-10(15)14-19-11(2,3)12(4,5)20-14/h7,9H,6,8H2,1-5H3.
What are the key properties of 2-(3-ethyl-1,5,5,5-tetrafluoropent-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-(3-ethyl-1,5,5,5-tetrafluoropent-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 296.11 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-1,5,5,5-tetrafluoropent-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 171109988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).