[4-(trifluoromethoxy)phenyl]phosphanium tetrafluoroborate

C7H7BF7OP — CID 175358014

IUPAC[4-(trifluoromethoxy)phenyl]phosphanium tetrafluoroborate
SMILESFC(F)(F)Oc1ccc([PH3+])cc1.F[B-](F)(F)F
InChIInChI=1S/C7H6F3OP.BF4/c8-7(9,10)11-5-1-3-6(12)4-2-5;2-1(3,4)5/h1-4H,12H2;/q;-1/p+1
InChIKeyDGHSYGHSEKWAGS-UHFFFAOYSA-O
MW281.90 g/mol
LogP3.12
Rot. Bonds1

About [4-(trifluoromethoxy)phenyl]phosphanium tetrafluoroborate

[4-(trifluoromethoxy)phenyl]phosphanium tetrafluoroborate (PubChem CID 175358014) has the molecular formula C7H7BF7OP and a molecular weight of 281.90 g/mol. Its IUPAC name is [4-(trifluoromethoxy)phenyl]phosphanium tetrafluoroborate.

Molecular Properties

Compound Name[4-(trifluoromethoxy)phenyl]phosphanium tetrafluoroborate
PubChem CID175358014
Molecular FormulaC7H7BF7OP
Molecular Weight281.90 g/mol
Exact Mass282.02
IUPAC Name[4-(trifluoromethoxy)phenyl]phosphanium tetrafluoroborate
SMILESFC(F)(F)Oc1ccc([PH3+])cc1.F[B-](F)(F)F
InChIInChI=1S/C7H6F3OP.BF4/c8-7(9,10)11-5-1-3-6(12)4-2-5;2-1(3,4)5/h1-4H,12H2;/q;-1/p+1
InChIKeyDGHSYGHSEKWAGS-UHFFFAOYSA-O
XLogP3.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.90
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

trifluoromethoxybenzene
CID 157402708
1-(trifluoromethoxy)-4-[[4-(trifluoromethoxy)phenyl]disulfanyl]benzene
CID 86088132
methane;1-methyl-4-(trifluoromethoxy)benzene
CID 160675977
[4-(trifluoromethoxy)phenyl]phosphane;hydrochloride
CID 171933025
1,4-bis[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]benzene
CID 23625072
4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]aniline
CID 87491792
trifluoromethoxybenzene fluoride
CID 158305019
1-(2-phenylethyl)-4-(trifluoromethoxy)benzene
CID 91341581
1-ethyl-4-[4-(trifluoromethoxy)phenyl]benzene
CID 19436313
CID 59303798
CID 59303798
fluoro-[[4-(trifluoromethoxy)phenyl]methyl]azanide
CID 154106189
methanamine;1-methyl-4-(trifluoromethoxy)benzene
CID 142968815

Frequently Asked Questions

What is the IUPAC name of [4-(trifluoromethoxy)phenyl]phosphanium tetrafluoroborate?
The IUPAC name of [4-(trifluoromethoxy)phenyl]phosphanium tetrafluoroborate (CID 175358014) is [4-(trifluoromethoxy)phenyl]phosphanium tetrafluoroborate.
What is the SMILES notation for [4-(trifluoromethoxy)phenyl]phosphanium tetrafluoroborate?
The canonical SMILES for [4-(trifluoromethoxy)phenyl]phosphanium tetrafluoroborate is FC(F)(F)Oc1ccc([PH3+])cc1.F[B-](F)(F)F.
What is the InChIKey of [4-(trifluoromethoxy)phenyl]phosphanium tetrafluoroborate?
The InChIKey is DGHSYGHSEKWAGS-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H6F3OP.BF4/c8-7(9,10)11-5-1-3-6(12)4-2-5;2-1(3,4)5/h1-4H,12H2;/q;-1/p+1.
What are the key properties of [4-(trifluoromethoxy)phenyl]phosphanium tetrafluoroborate?
[4-(trifluoromethoxy)phenyl]phosphanium tetrafluoroborate has a molecular weight of 281.90 g/mol, XLogP of 3.12, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(trifluoromethoxy)phenyl]phosphanium tetrafluoroborate is sourced from PubChem (CID 175358014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).