boric acid;1-fluorooctane

C8H20BFO3 — CID 174838883

IUPACboric acid;1-fluorooctane
SMILESCCCCCCCCF.OB(O)O
InChIInChI=1S/C8H17F.BH3O3/c1-2-3-4-5-6-7-8-9;2-1(3)4/h2-8H2,1H3;2-4H
InChIKeyCYDBFFXHDWNDMG-UHFFFAOYSA-N
MW194.05 g/mol
LogP1.26
Rot. Bonds6

About boric acid;1-fluorooctane

boric acid;1-fluorooctane (PubChem CID 174838883) has the molecular formula C8H20BFO3 and a molecular weight of 194.05 g/mol. Its IUPAC name is boric acid;1-fluorooctane.

Molecular Properties

Compound Nameboric acid;1-fluorooctane
PubChem CID174838883
Molecular FormulaC8H20BFO3
Molecular Weight194.05 g/mol
Exact Mass194.15
IUPAC Nameboric acid;1-fluorooctane
SMILESCCCCCCCCF.OB(O)O
InChIInChI=1S/C8H17F.BH3O3/c1-2-3-4-5-6-7-8-9;2-1(3)4/h2-8H2,1H3;2-4H
InChIKeyCYDBFFXHDWNDMG-UHFFFAOYSA-N
XLogP1.26
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.05
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-fluorododecane;hexane
CID 174651345
1-fluoroheptatriacontane
CID 54496561
azane;1-fluorododecane
CID 175529210
1-fluoropentane;methane
CID 160548083
1-fluoropentane;hydrofluoride
CID 159001340
1-fluoropentane;tetrafluoromethane
CID 175069152
potassium;1-fluorooctane;hydride;sulfuric acid
CID 173036344
heptadecane;hypofluorous acid
CID 158426244
ethane;1-fluorohexane;hexylazanium
CID 145193616
1-(4-fluorobutylsulfanyl)undecane
CID 54210142
CID 131878919
CID 131878919
boric acid;tetraheptylazanium
CID 87469731

Frequently Asked Questions

What is the IUPAC name of boric acid;1-fluorooctane?
The IUPAC name of boric acid;1-fluorooctane (CID 174838883) is boric acid;1-fluorooctane.
What is the SMILES notation for boric acid;1-fluorooctane?
The canonical SMILES for boric acid;1-fluorooctane is CCCCCCCCF.OB(O)O.
What is the InChIKey of boric acid;1-fluorooctane?
The InChIKey is CYDBFFXHDWNDMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F.BH3O3/c1-2-3-4-5-6-7-8-9;2-1(3)4/h2-8H2,1H3;2-4H.
What are the key properties of boric acid;1-fluorooctane?
boric acid;1-fluorooctane has a molecular weight of 194.05 g/mol, XLogP of 1.26, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for boric acid;1-fluorooctane is sourced from PubChem (CID 174838883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).