[2-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]-trifluoroboranuide

C13H17BF3O2- — CID 116522447

IUPAC[2-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]-trifluoroboranuide
SMILESCC1(C)CCC(COc2ccccc2[B-](F)(F)F)O1
InChIInChI=1S/C13H17BF3O2/c1-13(2)8-7-10(19-13)9-18-12-6-4-3-5-11(12)14(15,16)17/h3-6,10H,7-9H2,1-2H3/q-1
InChIKeyXUUUTSXQZGOGKW-UHFFFAOYSA-N
MW273.08 g/mol
LogP3.08
Rot. Bonds4

About [2-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]-trifluoroboranuide

[2-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]-trifluoroboranuide (PubChem CID 116522447) has the molecular formula C13H17BF3O2- and a molecular weight of 273.08 g/mol. Its IUPAC name is [2-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]-trifluoroboranuide.

Molecular Properties

Compound Name[2-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]-trifluoroboranuide
PubChem CID116522447
Molecular FormulaC13H17BF3O2-
Molecular Weight273.08 g/mol
Exact Mass273.13
IUPAC Name[2-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]-trifluoroboranuide
SMILESCC1(C)CCC(COc2ccccc2[B-](F)(F)F)O1
InChIInChI=1S/C13H17BF3O2/c1-13(2)8-7-10(19-13)9-18-12-6-4-3-5-11(12)14(15,16)17/h3-6,10H,7-9H2,1-2H3/q-1
InChIKeyXUUUTSXQZGOGKW-UHFFFAOYSA-N
XLogP3.08
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.08
LogP ≤ 53.08
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-[(5,5-dimethyloxolan-2-yl)methoxy]-5-fluorophenyl]-trifluoroboranuide
CID 116522457
2,2-dimethyl-5-(naphthalen-1-yloxymethyl)oxolane
CID 116524402
(5S)-2,2-dimethyl-5-(phenoxymethyl)oxolane
CID 141293396
2-[2-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]ethanol
CID 107713050
potassium trifluoro-[2-(oxolan-2-ylmethoxy)phenyl]boranuide
CID 63676632
[2-chloro-6-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]methanamine
CID 116520606
5-[[1-(chloromethyl)naphthalen-2-yl]oxymethyl]-2,2-dimethyloxolane
CID 116522378
5-[(3-fluorophenoxy)methyl]-2,2-dimethyloxolane
CID 116524396
1-[4-[(5,5-dimethyloxolan-2-yl)methoxy]-3-fluorophenyl]-N-methylmethanamine
CID 107686630
5-[[4-chloro-2-(chloromethyl)phenoxy]methyl]-2,2-dimethyloxolane
CID 116522368
2-[(5,5-dimethyloxolan-2-yl)methoxy]-3-methoxybenzoic acid
CID 116520653
8-[(5,5-dimethyloxolan-2-yl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 116522225

Frequently Asked Questions

What is the IUPAC name of [2-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]-trifluoroboranuide?
The IUPAC name of [2-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]-trifluoroboranuide (CID 116522447) is [2-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]-trifluoroboranuide.
What is the SMILES notation for [2-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]-trifluoroboranuide?
The canonical SMILES for [2-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]-trifluoroboranuide is CC1(C)CCC(COc2ccccc2[B-](F)(F)F)O1.
What is the InChIKey of [2-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]-trifluoroboranuide?
The InChIKey is XUUUTSXQZGOGKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BF3O2/c1-13(2)8-7-10(19-13)9-18-12-6-4-3-5-11(12)14(15,16)17/h3-6,10H,7-9H2,1-2H3/q-1.
What are the key properties of [2-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]-trifluoroboranuide?
[2-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]-trifluoroboranuide has a molecular weight of 273.08 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]-trifluoroboranuide is sourced from PubChem (CID 116522447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).