[3-(1,1,2,2,2-pentafluoroethoxy)phenyl]phosphanium tetrafluoroborate

C8H7BF9OP — CID 175387002

IUPAC[3-(1,1,2,2,2-pentafluoroethoxy)phenyl]phosphanium tetrafluoroborate
SMILESFC(F)(F)C(F)(F)Oc1cccc([PH3+])c1.F[B-](F)(F)F
InChIInChI=1S/C8H6F5OP.BF4/c9-7(10,11)8(12,13)14-5-2-1-3-6(15)4-5;2-1(3,4)5/h1-4H,15H2;/q;-1/p+1
InChIKeyIAGVAZZYQNXKMP-UHFFFAOYSA-O
MW331.91 g/mol
LogP3.75
Rot. Bonds2

About [3-(1,1,2,2,2-pentafluoroethoxy)phenyl]phosphanium tetrafluoroborate

[3-(1,1,2,2,2-pentafluoroethoxy)phenyl]phosphanium tetrafluoroborate (PubChem CID 175387002) has the molecular formula C8H7BF9OP and a molecular weight of 331.91 g/mol. Its IUPAC name is [3-(1,1,2,2,2-pentafluoroethoxy)phenyl]phosphanium tetrafluoroborate.

Molecular Properties

Compound Name[3-(1,1,2,2,2-pentafluoroethoxy)phenyl]phosphanium tetrafluoroborate
PubChem CID175387002
Molecular FormulaC8H7BF9OP
Molecular Weight331.91 g/mol
Exact Mass332.02
IUPAC Name[3-(1,1,2,2,2-pentafluoroethoxy)phenyl]phosphanium tetrafluoroborate
SMILESFC(F)(F)C(F)(F)Oc1cccc([PH3+])c1.F[B-](F)(F)F
InChIInChI=1S/C8H6F5OP.BF4/c9-7(10,11)8(12,13)14-5-2-1-3-6(15)4-5;2-1(3,4)5/h1-4H,15H2;/q;-1/p+1
InChIKeyIAGVAZZYQNXKMP-UHFFFAOYSA-O
XLogP3.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.91
LogP ≤ 53.75
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'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

1,3,5-tris(1,1,2,2,2-pentafluoroethoxy)benzene
CID 50742090
N-[2-[3-(1,1,2,2,2-pentafluoroethoxy)phenyl]ethyl]aniline
CID 91270383
potassium trifluoro-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]boranuide
CID 166000083
[4-(trifluoromethoxy)phenyl]phosphanium tetrafluoroborate
CID 175358014
2-[3-[4-(1,1,2,2,2-pentafluoroethoxy)phenoxy]phenyl]phenol
CID 87333751
2-[3-(1,1,2,2,2-pentafluoroethoxy)phenoxy]piperidine
CID 91592230
1-(trifluoromethoxy)-3-[[3-(trifluoromethoxy)phenyl]methyl]benzene
CID 87763466
1-phenyl-3-(trifluoromethoxy)benzene
CID 46315186
1,3-bis[3-(trifluoromethoxy)phenoxy]benzene
CID 154161092
4-(1,1,2,2,2-pentafluoroethoxy)aniline;[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]methanamine
CID 161101779
2-[3-(trifluoromethoxy)phenyl]thiophene
CID 69382382
2,4,6-trinitro-N-[3-(1,1,2,2,2-pentafluoroethoxy)phenyl]aniline
CID 20554521

Frequently Asked Questions

What is the IUPAC name of [3-(1,1,2,2,2-pentafluoroethoxy)phenyl]phosphanium tetrafluoroborate?
The IUPAC name of [3-(1,1,2,2,2-pentafluoroethoxy)phenyl]phosphanium tetrafluoroborate (CID 175387002) is [3-(1,1,2,2,2-pentafluoroethoxy)phenyl]phosphanium tetrafluoroborate.
What is the SMILES notation for [3-(1,1,2,2,2-pentafluoroethoxy)phenyl]phosphanium tetrafluoroborate?
The canonical SMILES for [3-(1,1,2,2,2-pentafluoroethoxy)phenyl]phosphanium tetrafluoroborate is FC(F)(F)C(F)(F)Oc1cccc([PH3+])c1.F[B-](F)(F)F.
What is the InChIKey of [3-(1,1,2,2,2-pentafluoroethoxy)phenyl]phosphanium tetrafluoroborate?
The InChIKey is IAGVAZZYQNXKMP-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H6F5OP.BF4/c9-7(10,11)8(12,13)14-5-2-1-3-6(15)4-5;2-1(3,4)5/h1-4H,15H2;/q;-1/p+1.
What are the key properties of [3-(1,1,2,2,2-pentafluoroethoxy)phenyl]phosphanium tetrafluoroborate?
[3-(1,1,2,2,2-pentafluoroethoxy)phenyl]phosphanium tetrafluoroborate has a molecular weight of 331.91 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1,1,2,2,2-pentafluoroethoxy)phenyl]phosphanium tetrafluoroborate is sourced from PubChem (CID 175387002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).