tris(furan-3-yl)-iodo-methyl-λ5-phosphane

C13H12IO3P — CID 102060442

IUPACtris(furan-3-yl)-iodo-methyl-λ5-phosphane
SMILESCP(I)(c1ccoc1)(c1ccoc1)c1ccoc1
InChIInChI=1S/C13H12IO3P/c1-18(14,11-2-5-15-8-11,12-3-6-16-9-12)13-4-7-17-10-13/h2-10H,1H3
InChIKeyGYJVAXQDUSDMLO-UHFFFAOYSA-N
MW374.11 g/mol
LogP3.28
Rot. Bonds3

About tris(furan-3-yl)-iodo-methyl-λ5-phosphane

tris(furan-3-yl)-iodo-methyl-λ5-phosphane (PubChem CID 102060442) has the molecular formula C13H12IO3P and a molecular weight of 374.11 g/mol. Its IUPAC name is tris(furan-3-yl)-iodo-methyl-λ5-phosphane.

Molecular Properties

Compound Nametris(furan-3-yl)-iodo-methyl-λ5-phosphane
PubChem CID102060442
Molecular FormulaC13H12IO3P
Molecular Weight374.11 g/mol
Exact Mass373.96
IUPAC Nametris(furan-3-yl)-iodo-methyl-λ5-phosphane
SMILESCP(I)(c1ccoc1)(c1ccoc1)c1ccoc1
InChIInChI=1S/C13H12IO3P/c1-18(14,11-2-5-15-8-11,12-3-6-16-9-12)13-4-7-17-10-13/h2-10H,1H3
InChIKeyGYJVAXQDUSDMLO-UHFFFAOYSA-N
XLogP3.28
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.11
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Tris(furan-2-yl)phosphane
CID 521585
Di-(2-furyl)dimethyl silane
CID 137093
Silane, DI-2-furanylmethyl-
CID 6327371
Mercury, di-2-furanyl-
CID 141435
Phosphine oxide, tri-2-furanyl-
CID 99413
2-[Bis(furan-2-yl)phosphanyl]ethyl-bis(furan-2-yl)phosphane
CID 14154521
Tri(3-furyl)phosphine
CID 10304870
Arsine, tri-2-furyl-
CID 46841
Chlorodi(2-furyl)phosphine
CID 5104771
Dimethyldi(2-furyl)germane
CID 13384393
Tri(2-furyl)phosphine selenide
CID 23271194
Mercury, di-3-furanyl-
CID 141436

Frequently Asked Questions

What is the IUPAC name of tris(furan-3-yl)-iodo-methyl-λ5-phosphane?
The IUPAC name of tris(furan-3-yl)-iodo-methyl-λ5-phosphane (CID 102060442) is tris(furan-3-yl)-iodo-methyl-λ5-phosphane.
What is the SMILES notation for tris(furan-3-yl)-iodo-methyl-λ5-phosphane?
The canonical SMILES for tris(furan-3-yl)-iodo-methyl-λ5-phosphane is CP(I)(c1ccoc1)(c1ccoc1)c1ccoc1.
What is the InChIKey of tris(furan-3-yl)-iodo-methyl-λ5-phosphane?
The InChIKey is GYJVAXQDUSDMLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12IO3P/c1-18(14,11-2-5-15-8-11,12-3-6-16-9-12)13-4-7-17-10-13/h2-10H,1H3.
What are the key properties of tris(furan-3-yl)-iodo-methyl-λ5-phosphane?
tris(furan-3-yl)-iodo-methyl-λ5-phosphane has a molecular weight of 374.11 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(furan-3-yl)-iodo-methyl-λ5-phosphane is sourced from PubChem (CID 102060442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).