potassium trifluoro-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]boranuide

C8H5BF7KO — CID 166000083

IUPACpotassium trifluoro-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]boranuide
SMILESFC(F)C(F)(F)Oc1cccc([B-](F)(F)F)c1.[K+]
InChIInChI=1S/C8H5BF7O.K/c10-7(11)8(12,13)17-6-3-1-2-5(4-6)9(14,15)16;/h1-4,7H;/q-1;+1
InChIKeyMRWAPWDIOKNBET-UHFFFAOYSA-N
MW300.02 g/mol
LogP-0.02
Rot. Bonds4

About potassium trifluoro-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]boranuide

potassium trifluoro-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]boranuide (PubChem CID 166000083) has the molecular formula C8H5BF7KO and a molecular weight of 300.02 g/mol. Its IUPAC name is potassium trifluoro-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]boranuide.

Molecular Properties

Compound Namepotassium trifluoro-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]boranuide
PubChem CID166000083
Molecular FormulaC8H5BF7KO
Molecular Weight300.02 g/mol
Exact Mass300.00
IUPAC Namepotassium trifluoro-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]boranuide
SMILESFC(F)C(F)(F)Oc1cccc([B-](F)(F)F)c1.[K+]
InChIInChI=1S/C8H5BF7O.K/c10-7(11)8(12,13)17-6-3-1-2-5(4-6)9(14,15)16;/h1-4,7H;/q-1;+1
InChIKeyMRWAPWDIOKNBET-UHFFFAOYSA-N
XLogP-0.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.02
LogP ≤ 5-0.02
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

1-methoxy-3-(1,1,2,2-tetrafluoroethoxy)benzene
CID 22508169
[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methanamine
CID 18407225
1-methoxy-4-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]benzene
CID 57101918
2-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]ethanamine
CID 3053563
(1S)-2-fluoro-1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]ethanamine;hydrochloride
CID 171208580
[3-(1,1,2,2-tetrafluoroethoxy)phenyl]cyanamide
CID 90187561
(1S)-3,3,3-trifluoro-1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-1-amine
CID 171228193
(1R)-2,2,3,3,3-pentafluoro-1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-1-amine;hydrochloride
CID 171312484
cyclopropyl-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methanol
CID 91657136
3-fluoro-5-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]benzaldehyde
CID 122475753
(S)-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-[4-(trifluoromethoxy)phenyl]methanamine
CID 171242513
1-heptyl-3-(1,1,2,2-tetrafluoroethoxy)benzene
CID 59545774

Frequently Asked Questions

What is the IUPAC name of potassium trifluoro-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]boranuide?
The IUPAC name of potassium trifluoro-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]boranuide (CID 166000083) is potassium trifluoro-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]boranuide.
What is the SMILES notation for potassium trifluoro-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]boranuide?
The canonical SMILES for potassium trifluoro-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]boranuide is FC(F)C(F)(F)Oc1cccc([B-](F)(F)F)c1.[K+].
What is the InChIKey of potassium trifluoro-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]boranuide?
The InChIKey is MRWAPWDIOKNBET-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BF7O.K/c10-7(11)8(12,13)17-6-3-1-2-5(4-6)9(14,15)16;/h1-4,7H;/q-1;+1.
What are the key properties of potassium trifluoro-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]boranuide?
potassium trifluoro-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]boranuide has a molecular weight of 300.02 g/mol, XLogP of -0.02, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium trifluoro-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]boranuide is sourced from PubChem (CID 166000083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).