difluoro(1,1,2,2,3,3,3-heptafluoropropoxy)borane

C3BF9O — CID 158763701

IUPACdifluoro(1,1,2,2,3,3,3-heptafluoropropoxy)borane
SMILESFB(F)OC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C3BF9O/c5-1(6,2(7,8)9)3(10,11)14-4(12)13
InChIKeyIOZLWRRGKSDZPV-UHFFFAOYSA-N
MW233.83 g/mol
LogP2.72
Rot. Bonds3

About difluoro(1,1,2,2,3,3,3-heptafluoropropoxy)borane

difluoro(1,1,2,2,3,3,3-heptafluoropropoxy)borane (PubChem CID 158763701) has the molecular formula C3BF9O and a molecular weight of 233.83 g/mol. Its IUPAC name is difluoro(1,1,2,2,3,3,3-heptafluoropropoxy)borane.

Molecular Properties

Compound Namedifluoro(1,1,2,2,3,3,3-heptafluoropropoxy)borane
PubChem CID158763701
Molecular FormulaC3BF9O
Molecular Weight233.83 g/mol
Exact Mass233.99
IUPAC Namedifluoro(1,1,2,2,3,3,3-heptafluoropropoxy)borane
SMILESFB(F)OC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C3BF9O/c5-1(6,2(7,8)9)3(10,11)14-4(12)13
InChIKeyIOZLWRRGKSDZPV-UHFFFAOYSA-N
XLogP2.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.83
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 175811708
CID 175811708
1,1,1,2,2,3,3-heptafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propane
CID 10968705
1,1,1,2,2,3,3-heptafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propane;methane
CID 160879773
1,1,1,2,2,3,3,3-octafluoropropane
CID 6432
[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl] hypofluorite
CID 170110314
1,1,1,2,2,3,3-heptafluoro-3-[(1S)-1,2,2,2-tetrafluoro-1-iodoethoxy]propane
CID 96560026
1,1,1,2,2,3,3-heptafluoro-3-(1,1,1,2-tetrafluoropropan-2-yloxy)propane
CID 59685373
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-7-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptylperoxy)heptane
CID 139654060
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-henicosafluoro-10-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecoxy)decane
CID 18625066
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,21-tetratetracontafluorohenicosane
CID 141072652
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-hexadecafluoroheptane;1,1,1,2,2,3,3,4,4,5,5,6,6,6-tetradecafluorohexane
CID 22712913
1,1,1,2,2,3,3,4,4,4-decafluorobutane;hydrofluoride
CID 175814235

Frequently Asked Questions

What is the IUPAC name of difluoro(1,1,2,2,3,3,3-heptafluoropropoxy)borane?
The IUPAC name of difluoro(1,1,2,2,3,3,3-heptafluoropropoxy)borane (CID 158763701) is difluoro(1,1,2,2,3,3,3-heptafluoropropoxy)borane.
What is the SMILES notation for difluoro(1,1,2,2,3,3,3-heptafluoropropoxy)borane?
The canonical SMILES for difluoro(1,1,2,2,3,3,3-heptafluoropropoxy)borane is FB(F)OC(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of difluoro(1,1,2,2,3,3,3-heptafluoropropoxy)borane?
The InChIKey is IOZLWRRGKSDZPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3BF9O/c5-1(6,2(7,8)9)3(10,11)14-4(12)13.
What are the key properties of difluoro(1,1,2,2,3,3,3-heptafluoropropoxy)borane?
difluoro(1,1,2,2,3,3,3-heptafluoropropoxy)borane has a molecular weight of 233.83 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for difluoro(1,1,2,2,3,3,3-heptafluoropropoxy)borane is sourced from PubChem (CID 158763701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).