iodo-(1-iodoethyl)-triphenyl-λ5-phosphane

C20H19I2P — CID 134886738

IUPACiodo-(1-iodoethyl)-triphenyl-λ5-phosphane
SMILESCC(I)P(I)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H19I2P/c1-17(21)23(22,18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-17H,1H3
InChIKeyXVDWQRDZWQDVNY-UHFFFAOYSA-N
MW544.15 g/mol
LogP5.65
Rot. Bonds4

About iodo-(1-iodoethyl)-triphenyl-λ5-phosphane

iodo-(1-iodoethyl)-triphenyl-λ5-phosphane (PubChem CID 134886738) has the molecular formula C20H19I2P and a molecular weight of 544.15 g/mol. Its IUPAC name is iodo-(1-iodoethyl)-triphenyl-λ5-phosphane.

Molecular Properties

Compound Nameiodo-(1-iodoethyl)-triphenyl-λ5-phosphane
PubChem CID134886738
Molecular FormulaC20H19I2P
Molecular Weight544.15 g/mol
Exact Mass543.93
IUPAC Nameiodo-(1-iodoethyl)-triphenyl-λ5-phosphane
SMILESCC(I)P(I)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H19I2P/c1-17(21)23(22,18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-17H,1H3
InChIKeyXVDWQRDZWQDVNY-UHFFFAOYSA-N
XLogP5.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.15
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

N-carbamoyl-2-[iodo(triphenyl)-λ5-phosphanyl]propanamide
CID 134994875
N,N-diethyl-1-[iodo(triphenyl)-lambda5-phosphanyl]propan-2-amine
CID 14323061
bromo-(1-bromoethyl)-triphenyl-lambda5-phosphane
CID 14002017
4,5-bis[iodo(triphenyl)-lambda5-phosphanyl]pentan-2-one
CID 15155918
CID 71339905
CID 71339905
N-[trifluoro(phenyl)-λ5-phosphanyl]propan-2-amine
CID 23237434
carbanide;gold;gold(3+);bis(iodo-dimethanidyl-diphenyl-λ5-phosphane)
CID 135046201
N-[iodo-tris(N-methylanilino)-lambda5-phosphanyl]-N-methylaniline
CID 2784141
ethane;trihydroxy(diphenyl)-λ5-phosphane
CID 159842008
difluoro-methyl-diphenyl-λ5-phosphane
CID 6421241
[(2S)-3-[iodo(triphenyl)-λ5-phosphanyl]-2-methylpropyl] acetate
CID 134994831
cumene;methane;molecular iodine
CID 161218326

Frequently Asked Questions

What is the IUPAC name of iodo-(1-iodoethyl)-triphenyl-λ5-phosphane?
The IUPAC name of iodo-(1-iodoethyl)-triphenyl-λ5-phosphane (CID 134886738) is iodo-(1-iodoethyl)-triphenyl-λ5-phosphane.
What is the SMILES notation for iodo-(1-iodoethyl)-triphenyl-λ5-phosphane?
The canonical SMILES for iodo-(1-iodoethyl)-triphenyl-λ5-phosphane is CC(I)P(I)(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of iodo-(1-iodoethyl)-triphenyl-λ5-phosphane?
The InChIKey is XVDWQRDZWQDVNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19I2P/c1-17(21)23(22,18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-17H,1H3.
What are the key properties of iodo-(1-iodoethyl)-triphenyl-λ5-phosphane?
iodo-(1-iodoethyl)-triphenyl-λ5-phosphane has a molecular weight of 544.15 g/mol, XLogP of 5.65, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for iodo-(1-iodoethyl)-triphenyl-λ5-phosphane is sourced from PubChem (CID 134886738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).