tris(5-bromofuran-2-yl)phosphane

C12H6Br3O3P — CID 10814161

IUPACtris(5-bromofuran-2-yl)phosphane
SMILESBrc1ccc(P(c2ccc(Br)o2)c2ccc(Br)o2)o1
InChIInChI=1S/C12H6Br3O3P/c13-7-1-4-10(16-7)19(11-5-2-8(14)17-11)12-6-3-9(15)18-12/h1-6H
InChIKeyCDUGXRGVWNCATR-UHFFFAOYSA-N
MW468.86 g/mol
LogP4.51
Rot. Bonds3

About tris(5-bromofuran-2-yl)phosphane

tris(5-bromofuran-2-yl)phosphane (PubChem CID 10814161) has the molecular formula C12H6Br3O3P and a molecular weight of 468.86 g/mol. Its IUPAC name is tris(5-bromofuran-2-yl)phosphane.

Molecular Properties

Compound Nametris(5-bromofuran-2-yl)phosphane
PubChem CID10814161
Molecular FormulaC12H6Br3O3P
Molecular Weight468.86 g/mol
Exact Mass465.76
IUPAC Nametris(5-bromofuran-2-yl)phosphane
SMILESBrc1ccc(P(c2ccc(Br)o2)c2ccc(Br)o2)o1
InChIInChI=1S/C12H6Br3O3P/c13-7-1-4-10(16-7)19(11-5-2-8(14)17-11)12-6-3-9(15)18-12/h1-6H
InChIKeyCDUGXRGVWNCATR-UHFFFAOYSA-N
XLogP4.51
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.86
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

amino-(5-bromofuran-2-yl)-chloromethanol
CID 174473752
2-bromo-5-(2-chloroethyl)furan
CID 64867320
N-(5-bromofuran-2-yl)oxymethanamine
CID 117126735
2-(5-bromofuran-2-yl)-4,6-dichloro-5-fluoropyrimidine
CID 80550973
2-(5-bromofuran-2-yl)-2,2-difluoroacetaldehyde
CID 105482727
2,6-bis[(5-bromofuran-2-yl)methylidene]cyclohexan-1-one
CID 3469532
(5-bromofuran-2-yl)methanesulfonyl chloride
CID 165443178
4,7-bis(5-bromofuran-2-yl)-2,1,3-benzoxadiazole
CID 156779682
(5-bromofuran-2-yl) carbonochloridate
CID 87583331
2-(5-bromofuran-2-yl)propan-2-ol
CID 66520373
2-(5-bromofuran-2-yl)-1,3-dioxole
CID 141434308
3-[(5-bromofuran-2-yl)methoxy]-5-chloropyridine
CID 130643811

Frequently Asked Questions

What is the IUPAC name of tris(5-bromofuran-2-yl)phosphane?
The IUPAC name of tris(5-bromofuran-2-yl)phosphane (CID 10814161) is tris(5-bromofuran-2-yl)phosphane.
What is the SMILES notation for tris(5-bromofuran-2-yl)phosphane?
The canonical SMILES for tris(5-bromofuran-2-yl)phosphane is Brc1ccc(P(c2ccc(Br)o2)c2ccc(Br)o2)o1.
What is the InChIKey of tris(5-bromofuran-2-yl)phosphane?
The InChIKey is CDUGXRGVWNCATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Br3O3P/c13-7-1-4-10(16-7)19(11-5-2-8(14)17-11)12-6-3-9(15)18-12/h1-6H.
What are the key properties of tris(5-bromofuran-2-yl)phosphane?
tris(5-bromofuran-2-yl)phosphane has a molecular weight of 468.86 g/mol, XLogP of 4.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(5-bromofuran-2-yl)phosphane is sourced from PubChem (CID 10814161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).