2-[(3-cyclohexylcyclobutylidene)-fluoromethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C17H28BFO2 — CID 171112648

IUPAC2-[(3-cyclohexylcyclobutylidene)-fluoromethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(C(F)=C2CC(C3CCCCC3)C2)OC1(C)C
InChIInChI=1S/C17H28BFO2/c1-16(2)17(3,4)21-18(20-16)15(19)14-10-13(11-14)12-8-6-5-7-9-12/h12-13H,5-11H2,1-4H3/b15-14-
InChIKeyGJVIHGVSIOSKQH-PFONDFGASA-N
MW294.22 g/mol
LogP4.83
Rot. Bonds2

About 2-[(3-cyclohexylcyclobutylidene)-fluoromethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-[(3-cyclohexylcyclobutylidene)-fluoromethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 171112648) has the molecular formula C17H28BFO2 and a molecular weight of 294.22 g/mol. Its IUPAC name is 2-[(3-cyclohexylcyclobutylidene)-fluoromethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-[(3-cyclohexylcyclobutylidene)-fluoromethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID171112648
Molecular FormulaC17H28BFO2
Molecular Weight294.22 g/mol
Exact Mass294.22
IUPAC Name2-[(3-cyclohexylcyclobutylidene)-fluoromethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(C(F)=C2CC(C3CCCCC3)C2)OC1(C)C
InChIInChI=1S/C17H28BFO2/c1-16(2)17(3,4)21-18(20-16)15(19)14-10-13(11-14)12-8-6-5-7-9-12/h12-13H,5-11H2,1-4H3/b15-14-
InChIKeyGJVIHGVSIOSKQH-PFONDFGASA-N
XLogP4.83
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.22
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyclohexylcyclobutylidene)-fluoromethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-[(3-cyclohexylcyclobutylidene)-fluoromethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 171112648) is 2-[(3-cyclohexylcyclobutylidene)-fluoromethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-[(3-cyclohexylcyclobutylidene)-fluoromethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-[(3-cyclohexylcyclobutylidene)-fluoromethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC1(C)OB(C(F)=C2CC(C3CCCCC3)C2)OC1(C)C.
What is the InChIKey of 2-[(3-cyclohexylcyclobutylidene)-fluoromethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is GJVIHGVSIOSKQH-PFONDFGASA-N. The full InChI is InChI=1S/C17H28BFO2/c1-16(2)17(3,4)21-18(20-16)15(19)14-10-13(11-14)12-8-6-5-7-9-12/h12-13H,5-11H2,1-4H3/b15-14-.
What are the key properties of 2-[(3-cyclohexylcyclobutylidene)-fluoromethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-[(3-cyclohexylcyclobutylidene)-fluoromethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 294.22 g/mol, XLogP of 4.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyclohexylcyclobutylidene)-fluoromethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 171112648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).