2-[2-fluoro-4-(2-methyloxetan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C16H22BFO3 — CID 155937630

IUPAC2-[2-fluoro-4-(2-methyloxetan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(c2ccc(B3OC(C)(C)C(C)(C)O3)c(F)c2)CCO1
InChIInChI=1S/C16H22BFO3/c1-14(2)15(3,4)21-17(20-14)12-7-6-11(10-13(12)18)16(5)8-9-19-16/h6-7,10H,8-9H2,1-5H3
InChIKeySYKSUKCMMJTOHR-UHFFFAOYSA-N
MW292.16 g/mol
LogP2.76
Rot. Bonds2

About 2-[2-fluoro-4-(2-methyloxetan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-[2-fluoro-4-(2-methyloxetan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 155937630) has the molecular formula C16H22BFO3 and a molecular weight of 292.16 g/mol. Its IUPAC name is 2-[2-fluoro-4-(2-methyloxetan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-[2-fluoro-4-(2-methyloxetan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID155937630
Molecular FormulaC16H22BFO3
Molecular Weight292.16 g/mol
Exact Mass292.16
IUPAC Name2-[2-fluoro-4-(2-methyloxetan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(c2ccc(B3OC(C)(C)C(C)(C)O3)c(F)c2)CCO1
InChIInChI=1S/C16H22BFO3/c1-14(2)15(3,4)21-17(20-14)12-7-6-11(10-13(12)18)16(5)8-9-19-16/h6-7,10H,8-9H2,1-5H3
InChIKeySYKSUKCMMJTOHR-UHFFFAOYSA-N
XLogP2.76
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.16
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[2-fluoro-4-(2-methyloxetan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane with MolForge

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Related Compounds

(E)-2-(3-(benzyloxy)prop-1-en-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 14141556
4-(Oxolan-2-yl)phenylboronic acid pinacol ester
CID 129946704
Benzene, (1-methyl-1-(2-propen-1-yloxy)ethyl)-
CID 112323
2,2-Bis(4-fluorophenyl)tetrahydrofuran
CID 96739
2-(4-Fluorophenyl)-2-methyloxolane
CID 132520503
Benzene, (1-methyl-1-propoxyethyl)-
CID 32227
2-(4-Fluorophenyl)tetrahydro-2-phenylfuran
CID 3019788
4-(tert-Butoxymethyl)benzeneboronic acid
CID 3708480
2-(tert-Butoxymethyl)phenylboronic acid
CID 3796728
2-(3-(Methoxymethyl)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 17750258
2-Ethyl-2-(4-fluorophenyl)oxirane
CID 59455262
2-(4-(Methoxymethyl)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 59882226

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-4-(2-methyloxetan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-[2-fluoro-4-(2-methyloxetan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 155937630) is 2-[2-fluoro-4-(2-methyloxetan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-[2-fluoro-4-(2-methyloxetan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-[2-fluoro-4-(2-methyloxetan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC1(c2ccc(B3OC(C)(C)C(C)(C)O3)c(F)c2)CCO1.
What is the InChIKey of 2-[2-fluoro-4-(2-methyloxetan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is SYKSUKCMMJTOHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BFO3/c1-14(2)15(3,4)21-17(20-14)12-7-6-11(10-13(12)18)16(5)8-9-19-16/h6-7,10H,8-9H2,1-5H3.
What are the key properties of 2-[2-fluoro-4-(2-methyloxetan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-[2-fluoro-4-(2-methyloxetan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 292.16 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-4-(2-methyloxetan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 155937630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).