CID 174941235

C18H18BF3P — CID 174941235

IUPAC—
SMILESF.F.F.[B].c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.B.3FH/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;;/h1-15H;;3*1H
InChIKeyRLVTWHMDEBMJOK-UHFFFAOYSA-N
MW333.12 g/mol
LogP3.52
Rot. Bonds3

About CID 174941235

CID 174941235 (PubChem CID 174941235) has the molecular formula C18H18BF3P and a molecular weight of 333.12 g/mol.

Molecular Properties

Compound NameCID 174941235
PubChem CID174941235
Molecular FormulaC18H18BF3P
Molecular Weight333.12 g/mol
Exact Mass333.12
IUPAC Name—
SMILESF.F.F.[B].c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.B.3FH/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;;/h1-15H;;3*1H
InChIKeyRLVTWHMDEBMJOK-UHFFFAOYSA-N
XLogP3.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.12
LogP ≤ 53.52
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

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CID 173282987
palladium;bis(triphenylphosphane)
CID 10122028
triphenylphosphane;yttrium
CID 139917776
tetrakis(triphenylphosphane);dihydrochloride
CID 172855409
copper monohydride;hexakis(triphenylphosphane)
CID 134992255
silane;triphenylphosphane
CID 161037280
plutonium;triphenylphosphane
CID 161300359
CID 87948921
CID 87948921

Frequently Asked Questions

What is the IUPAC name of CID 174941235?
The IUPAC name of CID 174941235 (CID 174941235) is not available.
What is the SMILES notation for CID 174941235?
The canonical SMILES for CID 174941235 is F.F.F.[B].c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of CID 174941235?
The InChIKey is RLVTWHMDEBMJOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15P.B.3FH/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;;/h1-15H;;3*1H.
What are the key properties of CID 174941235?
CID 174941235 has a molecular weight of 333.12 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174941235 is sourced from PubChem (CID 174941235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).