2-[4-fluoro-2-(oxan-2-yloxymethyl)phenyl]-1,3,2-dioxaborolane

C14H18BFO4 — CID 24965213

IUPAC2-[4-fluoro-2-(oxan-2-yloxymethyl)phenyl]-1,3,2-dioxaborolane
SMILESFc1ccc(B2OCCO2)c(COC2CCCCO2)c1
InChIInChI=1S/C14H18BFO4/c16-12-4-5-13(15-19-7-8-20-15)11(9-12)10-18-14-3-1-2-6-17-14/h4-5,9,14H,1-3,6-8,10H2
InChIKeyOITVWWCIORLEDU-UHFFFAOYSA-N
MW280.10 g/mol
LogP1.61
Rot. Bonds4

About 2-[4-fluoro-2-(oxan-2-yloxymethyl)phenyl]-1,3,2-dioxaborolane

2-[4-fluoro-2-(oxan-2-yloxymethyl)phenyl]-1,3,2-dioxaborolane (PubChem CID 24965213) has the molecular formula C14H18BFO4 and a molecular weight of 280.10 g/mol. Its IUPAC name is 2-[4-fluoro-2-(oxan-2-yloxymethyl)phenyl]-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-[4-fluoro-2-(oxan-2-yloxymethyl)phenyl]-1,3,2-dioxaborolane
PubChem CID24965213
Molecular FormulaC14H18BFO4
Molecular Weight280.10 g/mol
Exact Mass280.13
IUPAC Name2-[4-fluoro-2-(oxan-2-yloxymethyl)phenyl]-1,3,2-dioxaborolane
SMILESFc1ccc(B2OCCO2)c(COC2CCCCO2)c1
InChIInChI=1S/C14H18BFO4/c16-12-4-5-13(15-19-7-8-20-15)11(9-12)10-18-14-3-1-2-6-17-14/h4-5,9,14H,1-3,6-8,10H2
InChIKeyOITVWWCIORLEDU-UHFFFAOYSA-N
XLogP1.61
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.10
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-fluorophenyl)methoxy]oxane
CID 22446153
2-[2-(1-ethoxyethoxymethyl)-4-fluorophenyl]-5,5-dimethyl-1,3,2-dioxaborinane;2-[2-(1-ethoxyethoxymethyl)-4-fluorophenyl]-1,3,2-dioxaborepane;[4-fluoro-2-(oxan-2-yloxymethyl)phenyl]boronic acid;[4-fluoro-2-(oxan-2-yloxymethyl)phenyl]-dimethoxyborane;2-[4-fluoro-2-(oxan-2-yloxymethyl)phenyl]-1,3,2-dioxaborolane;[4-fluoro-2-(oxan-2-yloxymethyl)phenyl]-di(propan-2-yloxy)borane;[4-fluoro-2-(oxan-2-yloxymethyl)phenyl]-methoxyborinic acid;methane
CID 162108586
2-[[2-[[2-[[2-(oxan-2-yloxymethyl)phenyl]methyl]phenyl]methyl]phenyl]methoxy]oxane
CID 10458131
N-[tert-butyl(dimethyl)silyl]-3-(oxan-2-yloxymethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide
CID 170600981
2-[(2-methylsulfanylphenyl)methoxy]oxane
CID 156806048
2-[(2,3-dimethoxyphenyl)methoxy]oxane
CID 11265241
4-methyl-2-(oxan-2-yloxymethyl)benzenethiol
CID 19776911
2-[(2-fluoro-5-nitrophenyl)methoxy]oxane
CID 22179631
2-[[3-(bromomethyl)-4-fluorophenyl]methoxy]oxane
CID 67128227
4-(oxan-2-yloxymethyl)-3-(trifluoromethyl)aniline
CID 91433320
4-fluoro-2-(oxan-2-yloxy)aniline
CID 155295982
2-(naphthalen-1-ylmethoxy)oxane
CID 15471078

Frequently Asked Questions

What is the IUPAC name of 2-[4-fluoro-2-(oxan-2-yloxymethyl)phenyl]-1,3,2-dioxaborolane?
The IUPAC name of 2-[4-fluoro-2-(oxan-2-yloxymethyl)phenyl]-1,3,2-dioxaborolane (CID 24965213) is 2-[4-fluoro-2-(oxan-2-yloxymethyl)phenyl]-1,3,2-dioxaborolane.
What is the SMILES notation for 2-[4-fluoro-2-(oxan-2-yloxymethyl)phenyl]-1,3,2-dioxaborolane?
The canonical SMILES for 2-[4-fluoro-2-(oxan-2-yloxymethyl)phenyl]-1,3,2-dioxaborolane is Fc1ccc(B2OCCO2)c(COC2CCCCO2)c1.
What is the InChIKey of 2-[4-fluoro-2-(oxan-2-yloxymethyl)phenyl]-1,3,2-dioxaborolane?
The InChIKey is OITVWWCIORLEDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BFO4/c16-12-4-5-13(15-19-7-8-20-15)11(9-12)10-18-14-3-1-2-6-17-14/h4-5,9,14H,1-3,6-8,10H2.
What are the key properties of 2-[4-fluoro-2-(oxan-2-yloxymethyl)phenyl]-1,3,2-dioxaborolane?
2-[4-fluoro-2-(oxan-2-yloxymethyl)phenyl]-1,3,2-dioxaborolane has a molecular weight of 280.10 g/mol, XLogP of 1.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-fluoro-2-(oxan-2-yloxymethyl)phenyl]-1,3,2-dioxaborolane is sourced from PubChem (CID 24965213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).