benzyl(ethenyl)phosphanium tetrafluoroborate

C9H12BF4P — CID 139776682

IUPACbenzyl(ethenyl)phosphanium tetrafluoroborate
SMILESC=C[PH2+]Cc1ccccc1.F[B-](F)(F)F
InChIInChI=1S/C9H11P.BF4/c1-2-10-8-9-6-4-3-5-7-9;2-1(3,4)5/h2-7,10H,1,8H2;/q;-1/p+1
InChIKeyASSZFCXXZQZZFP-UHFFFAOYSA-O
MW237.97 g/mol
LogP4.04
Rot. Bonds3

About benzyl(ethenyl)phosphanium tetrafluoroborate

benzyl(ethenyl)phosphanium tetrafluoroborate (PubChem CID 139776682) has the molecular formula C9H12BF4P and a molecular weight of 237.97 g/mol. Its IUPAC name is benzyl(ethenyl)phosphanium tetrafluoroborate.

Molecular Properties

Compound Namebenzyl(ethenyl)phosphanium tetrafluoroborate
PubChem CID139776682
Molecular FormulaC9H12BF4P
Molecular Weight237.97 g/mol
Exact Mass238.07
IUPAC Namebenzyl(ethenyl)phosphanium tetrafluoroborate
SMILESC=C[PH2+]Cc1ccccc1.F[B-](F)(F)F
InChIInChI=1S/C9H11P.BF4/c1-2-10-8-9-6-4-3-5-7-9;2-1(3,4)5/h2-7,10H,1,8H2;/q;-1/p+1
InChIKeyASSZFCXXZQZZFP-UHFFFAOYSA-O
XLogP4.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.97
LogP ≤ 54.04
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'}

Analyze benzyl(ethenyl)phosphanium tetrafluoroborate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzyl(diphenyl)sulfanium tetrafluoroborate
CID 11485309
dibenzyl(phenyl)sulfanium tetrafluoroborate
CID 19795269
potassium;hydride;2-phenylethanol;tritetrafluoroborate
CID 173023580
prop-2-enylbenzene
CID 159998516
CID 173215164
CID 173215164
phosphane;prop-2-enylbenzene
CID 87328808
prop-2-enylbenzene;dihydrochloride
CID 174768742
potassium trifluoro-[(Z)-4-phenylbut-1-enyl]boranuide
CID 23677745
benzyl(phenyl)iodanium tetrafluoroborate
CID 134880627
1-deuterioprop-2-enylbenzene
CID 11240464
benzhydrylbenzene hexatetrafluoroborate
CID 173334521
potassium trifluoro(3-phenylmethoxypropyl)boranuide
CID 130588686

Frequently Asked Questions

What is the IUPAC name of benzyl(ethenyl)phosphanium tetrafluoroborate?
The IUPAC name of benzyl(ethenyl)phosphanium tetrafluoroborate (CID 139776682) is benzyl(ethenyl)phosphanium tetrafluoroborate.
What is the SMILES notation for benzyl(ethenyl)phosphanium tetrafluoroborate?
The canonical SMILES for benzyl(ethenyl)phosphanium tetrafluoroborate is C=C[PH2+]Cc1ccccc1.F[B-](F)(F)F.
What is the InChIKey of benzyl(ethenyl)phosphanium tetrafluoroborate?
The InChIKey is ASSZFCXXZQZZFP-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H11P.BF4/c1-2-10-8-9-6-4-3-5-7-9;2-1(3,4)5/h2-7,10H,1,8H2;/q;-1/p+1.
What are the key properties of benzyl(ethenyl)phosphanium tetrafluoroborate?
benzyl(ethenyl)phosphanium tetrafluoroborate has a molecular weight of 237.97 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl(ethenyl)phosphanium tetrafluoroborate is sourced from PubChem (CID 139776682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).