boric acid;2,3-dimethylbutane-2,3-diol;1-ethenyl-2-fluorobenzene

C14H24BFO5 — CID 175435744

IUPACboric acid;2,3-dimethylbutane-2,3-diol;1-ethenyl-2-fluorobenzene
SMILESC=Cc1ccccc1F.CC(C)(O)C(C)(C)O.OB(O)O
InChIInChI=1S/C8H7F.C6H14O2.BH3O3/c1-2-7-5-3-4-6-8(7)9;1-5(2,7)6(3,4)8;2-1(3)4/h2-6H,1H2;7-8H,1-4H3;2-4H
InChIKeyGJCDPNWYRAZWMW-UHFFFAOYSA-N
MW302.15 g/mol
LogP0.95
Rot. Bonds2

About boric acid;2,3-dimethylbutane-2,3-diol;1-ethenyl-2-fluorobenzene

boric acid;2,3-dimethylbutane-2,3-diol;1-ethenyl-2-fluorobenzene (PubChem CID 175435744) has the molecular formula C14H24BFO5 and a molecular weight of 302.15 g/mol. Its IUPAC name is boric acid;2,3-dimethylbutane-2,3-diol;1-ethenyl-2-fluorobenzene.

Molecular Properties

Compound Nameboric acid;2,3-dimethylbutane-2,3-diol;1-ethenyl-2-fluorobenzene
PubChem CID175435744
Molecular FormulaC14H24BFO5
Molecular Weight302.15 g/mol
Exact Mass302.17
IUPAC Nameboric acid;2,3-dimethylbutane-2,3-diol;1-ethenyl-2-fluorobenzene
SMILESC=Cc1ccccc1F.CC(C)(O)C(C)(C)O.OB(O)O
InChIInChI=1S/C8H7F.C6H14O2.BH3O3/c1-2-7-5-3-4-6-8(7)9;1-5(2,7)6(3,4)8;2-1(3)4/h2-6H,1H2;7-8H,1-4H3;2-4H
InChIKeyGJCDPNWYRAZWMW-UHFFFAOYSA-N
XLogP0.95
TPSA101.15 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.15
LogP ≤ 50.95
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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 boric acid;2,3-dimethylbutane-2,3-diol;1-ethenyl-2-fluorobenzene?
The IUPAC name of boric acid;2,3-dimethylbutane-2,3-diol;1-ethenyl-2-fluorobenzene (CID 175435744) is boric acid;2,3-dimethylbutane-2,3-diol;1-ethenyl-2-fluorobenzene.
What is the SMILES notation for boric acid;2,3-dimethylbutane-2,3-diol;1-ethenyl-2-fluorobenzene?
The canonical SMILES for boric acid;2,3-dimethylbutane-2,3-diol;1-ethenyl-2-fluorobenzene is C=Cc1ccccc1F.CC(C)(O)C(C)(C)O.OB(O)O.
What is the InChIKey of boric acid;2,3-dimethylbutane-2,3-diol;1-ethenyl-2-fluorobenzene?
The InChIKey is GJCDPNWYRAZWMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F.C6H14O2.BH3O3/c1-2-7-5-3-4-6-8(7)9;1-5(2,7)6(3,4)8;2-1(3)4/h2-6H,1H2;7-8H,1-4H3;2-4H.
What are the key properties of boric acid;2,3-dimethylbutane-2,3-diol;1-ethenyl-2-fluorobenzene?
boric acid;2,3-dimethylbutane-2,3-diol;1-ethenyl-2-fluorobenzene has a molecular weight of 302.15 g/mol, XLogP of 0.95, 2 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for boric acid;2,3-dimethylbutane-2,3-diol;1-ethenyl-2-fluorobenzene is sourced from PubChem (CID 175435744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).