fluoro(dipentoxy)borane

C10H22BFO2 — CID 87578217

IUPACfluoro(dipentoxy)borane
SMILESCCCCCOB(F)OCCCCC
InChIInChI=1S/C10H22BFO2/c1-3-5-7-9-13-11(12)14-10-8-6-4-2/h3-10H2,1-2H3
InChIKeyMTOIDAPHWRQLOE-UHFFFAOYSA-N
MW204.09 g/mol
LogP3.35
Rot. Bonds10

About fluoro(dipentoxy)borane

fluoro(dipentoxy)borane (PubChem CID 87578217) has the molecular formula C10H22BFO2 and a molecular weight of 204.09 g/mol. Its IUPAC name is fluoro(dipentoxy)borane.

Molecular Properties

Compound Namefluoro(dipentoxy)borane
PubChem CID87578217
Molecular FormulaC10H22BFO2
Molecular Weight204.09 g/mol
Exact Mass204.17
IUPAC Namefluoro(dipentoxy)borane
SMILESCCCCCOB(F)OCCCCC
InChIInChI=1S/C10H22BFO2/c1-3-5-7-9-13-11(12)14-10-8-6-4-2/h3-10H2,1-2H3
InChIKeyMTOIDAPHWRQLOE-UHFFFAOYSA-N
XLogP3.35
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.09
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

Tripentyl borate
CID 12134
Dibutoxy(fluoro)borane
CID 14513498
Tris(1-fluoropentyl) borate
CID 87145479
Fluoro(pentoxy)borinic acid
CID 87578218
Bis(1-fluoropentoxy)borinic acid
CID 173613046
Ethyl diamylborate
CID 129811674
1-Pentanol ethyl boronate
CID 170995148
CID 57266034
CID 57266034
Ethyl(dipentoxy)borane
CID 87643549
CID 88372005
CID 88372005
Dipentoxyborinic acid
CID 139632922
Methyl(dipentoxy)borane
CID 141214571

Frequently Asked Questions

What is the IUPAC name of fluoro(dipentoxy)borane?
The IUPAC name of fluoro(dipentoxy)borane (CID 87578217) is fluoro(dipentoxy)borane.
What is the SMILES notation for fluoro(dipentoxy)borane?
The canonical SMILES for fluoro(dipentoxy)borane is CCCCCOB(F)OCCCCC.
What is the InChIKey of fluoro(dipentoxy)borane?
The InChIKey is MTOIDAPHWRQLOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22BFO2/c1-3-5-7-9-13-11(12)14-10-8-6-4-2/h3-10H2,1-2H3.
What are the key properties of fluoro(dipentoxy)borane?
fluoro(dipentoxy)borane has a molecular weight of 204.09 g/mol, XLogP of 3.35, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro(dipentoxy)borane is sourced from PubChem (CID 87578217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).