(4-ethenylphenyl)methylphosphanium tetrafluoroborate

C9H12BF4P — CID 174226333

IUPAC(4-ethenylphenyl)methylphosphanium tetrafluoroborate
SMILESC=Cc1ccc(C[PH3+])cc1.F[B-](F)(F)F
InChIInChI=1S/C9H11P.BF4/c1-2-8-3-5-9(7-10)6-4-8;2-1(3,4)5/h2-6H,1,7,10H2;/q;-1/p+1
InChIKeyICTXBXSODUTVLK-UHFFFAOYSA-O
MW237.97 g/mol
LogP3.74
Rot. Bonds2

About (4-ethenylphenyl)methylphosphanium tetrafluoroborate

(4-ethenylphenyl)methylphosphanium tetrafluoroborate (PubChem CID 174226333) has the molecular formula C9H12BF4P and a molecular weight of 237.97 g/mol. Its IUPAC name is (4-ethenylphenyl)methylphosphanium tetrafluoroborate.

Molecular Properties

Compound Name(4-ethenylphenyl)methylphosphanium tetrafluoroborate
PubChem CID174226333
Molecular FormulaC9H12BF4P
Molecular Weight237.97 g/mol
Exact Mass238.07
IUPAC Name(4-ethenylphenyl)methylphosphanium tetrafluoroborate
SMILESC=Cc1ccc(C[PH3+])cc1.F[B-](F)(F)F
InChIInChI=1S/C9H11P.BF4/c1-2-8-3-5-9(7-10)6-4-8;2-1(3,4)5/h2-6H,1,7,10H2;/q;-1/p+1
InChIKeyICTXBXSODUTVLK-UHFFFAOYSA-O
XLogP3.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.97
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,4-bis[(4-ethenylphenyl)methyl]benzene
CID 20738932
1-ethenyl-4-[[4-[[4-[(4-ethenylphenyl)methyl]phenyl]methyl]phenyl]methyl]benzene
CID 163649628
(4-ethenylphenyl)methylazanium
CID 86307073
trichloro-[3-(4-ethenylphenyl)propyl]silane
CID 174075092
1-(chloromethyl)-4-ethenylbenzene;phosphane
CID 87786462
1,3-bis[2-(4-ethenylphenyl)ethyl]benzene
CID 20738929
3-(4-ethenylphenyl)propane-1-thiol
CID 59552728
1-ethenyl-4-(2-methoxyethyl)benzene
CID 66598261
1-(2-ethenoxyethyl)-4-ethenylbenzene
CID 23031073
1-ethenyl-4-(5-phenylpentyl)benzene
CID 151483185
2-(4-ethenylphenyl)ethane-1,1-diol
CID 166912920
(4-ethenylphenyl)methyl-dimethoxyphosphane
CID 102247974

Frequently Asked Questions

What is the IUPAC name of (4-ethenylphenyl)methylphosphanium tetrafluoroborate?
The IUPAC name of (4-ethenylphenyl)methylphosphanium tetrafluoroborate (CID 174226333) is (4-ethenylphenyl)methylphosphanium tetrafluoroborate.
What is the SMILES notation for (4-ethenylphenyl)methylphosphanium tetrafluoroborate?
The canonical SMILES for (4-ethenylphenyl)methylphosphanium tetrafluoroborate is C=Cc1ccc(C[PH3+])cc1.F[B-](F)(F)F.
What is the InChIKey of (4-ethenylphenyl)methylphosphanium tetrafluoroborate?
The InChIKey is ICTXBXSODUTVLK-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H11P.BF4/c1-2-8-3-5-9(7-10)6-4-8;2-1(3,4)5/h2-6H,1,7,10H2;/q;-1/p+1.
What are the key properties of (4-ethenylphenyl)methylphosphanium tetrafluoroborate?
(4-ethenylphenyl)methylphosphanium tetrafluoroborate has a molecular weight of 237.97 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethenylphenyl)methylphosphanium tetrafluoroborate is sourced from PubChem (CID 174226333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).