ethoxybenzene tetrafluoroborate

C8H10BF4O- — CID 174807216

IUPACethoxybenzene tetrafluoroborate
SMILESCCOc1ccccc1.F[B-](F)(F)F
InChIInChI=1S/C8H10O.BF4/c1-2-9-8-6-4-3-5-7-8;2-1(3,4)5/h3-7H,2H2,1H3;/q;-1
InChIKeyMISFBOALALQUBJ-UHFFFAOYSA-N
MW208.97 g/mol
LogP3.39
Rot. Bonds2

About ethoxybenzene tetrafluoroborate

ethoxybenzene tetrafluoroborate (PubChem CID 174807216) has the molecular formula C8H10BF4O- and a molecular weight of 208.97 g/mol. Its IUPAC name is ethoxybenzene tetrafluoroborate.

Molecular Properties

Compound Nameethoxybenzene tetrafluoroborate
PubChem CID174807216
Molecular FormulaC8H10BF4O-
Molecular Weight208.97 g/mol
Exact Mass209.08
IUPAC Nameethoxybenzene tetrafluoroborate
SMILESCCOc1ccccc1.F[B-](F)(F)F
InChIInChI=1S/C8H10O.BF4/c1-2-9-8-6-4-3-5-7-8;2-1(3,4)5/h3-7H,2H2,1H3;/q;-1
InChIKeyMISFBOALALQUBJ-UHFFFAOYSA-N
XLogP3.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.97
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethoxybenzene chloride
CID 21193593
ethoxybenzene;molecular iodine
CID 67763605
ethoxybenzene;ethoxyethane
CID 67764259
ethoxybenzene;propoxybenzene
CID 67747691
1-ethoxy-3-[(3-ethoxyphenyl)diselanyl]benzene ditetrafluoroborate
CID 139264995
2-chloroacetic acid;ethoxybenzene
CID 174963019
4-ethoxy-N-(4-ethoxyphenyl)-N-phenylaniline
CID 18996804
1-ethoxy-4-phenylbenzene;phenol
CID 174652155
ethane;ethoxybenzene;toluene;trifluoromethylbenzene
CID 178055102
1-ethoxy-4-(2-methyl-1-phenylpropyl)benzene
CID 58493580
ethoxybenzene;2-ethyloxirane
CID 160565923
1-ethoxy-4-(2-phenylethenyl)benzene
CID 54277622

Frequently Asked Questions

What is the IUPAC name of ethoxybenzene tetrafluoroborate?
The IUPAC name of ethoxybenzene tetrafluoroborate (CID 174807216) is ethoxybenzene tetrafluoroborate.
What is the SMILES notation for ethoxybenzene tetrafluoroborate?
The canonical SMILES for ethoxybenzene tetrafluoroborate is CCOc1ccccc1.F[B-](F)(F)F.
What is the InChIKey of ethoxybenzene tetrafluoroborate?
The InChIKey is MISFBOALALQUBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O.BF4/c1-2-9-8-6-4-3-5-7-8;2-1(3,4)5/h3-7H,2H2,1H3;/q;-1.
What are the key properties of ethoxybenzene tetrafluoroborate?
ethoxybenzene tetrafluoroborate has a molecular weight of 208.97 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxybenzene tetrafluoroborate is sourced from PubChem (CID 174807216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).