(1-phosphanylcyclopentyl)phosphane;2-(1,2,2-trifluoroethoxy)-1,3,2λ5-dioxaphosphinane 2-oxide

C10H20F3O4P3 — CID 175542787

IUPAC(1-phosphanylcyclopentyl)phosphane;2-(1,2,2-trifluoroethoxy)-1,3,2λ5-dioxaphosphinane 2-oxide
SMILESO=P1(OC(F)C(F)F)OCCCO1.PC1(P)CCCC1
InChIInChI=1S/C5H8F3O4P.C5H12P2/c6-4(7)5(8)12-13(9)10-2-1-3-11-13;6-5(7)3-1-2-4-5/h4-5H,1-3H2;1-4,6-7H2
InChIKeyYDKNSOQJEBHOOE-UHFFFAOYSA-N
MW354.18 g/mol
LogP4.12
Rot. Bonds3

About (1-phosphanylcyclopentyl)phosphane;2-(1,2,2-trifluoroethoxy)-1,3,2λ5-dioxaphosphinane 2-oxide

(1-phosphanylcyclopentyl)phosphane;2-(1,2,2-trifluoroethoxy)-1,3,2λ5-dioxaphosphinane 2-oxide (PubChem CID 175542787) has the molecular formula C10H20F3O4P3 and a molecular weight of 354.18 g/mol. Its IUPAC name is (1-phosphanylcyclopentyl)phosphane;2-(1,2,2-trifluoroethoxy)-1,3,2λ5-dioxaphosphinane 2-oxide.

Molecular Properties

Compound Name(1-phosphanylcyclopentyl)phosphane;2-(1,2,2-trifluoroethoxy)-1,3,2λ5-dioxaphosphinane 2-oxide
PubChem CID175542787
Molecular FormulaC10H20F3O4P3
Molecular Weight354.18 g/mol
Exact Mass354.05
IUPAC Name(1-phosphanylcyclopentyl)phosphane;2-(1,2,2-trifluoroethoxy)-1,3,2λ5-dioxaphosphinane 2-oxide
SMILESO=P1(OC(F)C(F)F)OCCCO1.PC1(P)CCCC1
InChIInChI=1S/C5H8F3O4P.C5H12P2/c6-4(7)5(8)12-13(9)10-2-1-3-11-13;6-5(7)3-1-2-4-5/h4-5H,1-3H2;1-4,6-7H2
InChIKeyYDKNSOQJEBHOOE-UHFFFAOYSA-N
XLogP4.12
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.18
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1-phosphanylcyclopentyl)phosphane;2-(1,2,2-trifluoroethoxy)-1,3,2λ5-dioxaphosphinane 2-oxide?
The IUPAC name of (1-phosphanylcyclopentyl)phosphane;2-(1,2,2-trifluoroethoxy)-1,3,2λ5-dioxaphosphinane 2-oxide (CID 175542787) is (1-phosphanylcyclopentyl)phosphane;2-(1,2,2-trifluoroethoxy)-1,3,2λ5-dioxaphosphinane 2-oxide.
What is the SMILES notation for (1-phosphanylcyclopentyl)phosphane;2-(1,2,2-trifluoroethoxy)-1,3,2λ5-dioxaphosphinane 2-oxide?
The canonical SMILES for (1-phosphanylcyclopentyl)phosphane;2-(1,2,2-trifluoroethoxy)-1,3,2λ5-dioxaphosphinane 2-oxide is O=P1(OC(F)C(F)F)OCCCO1.PC1(P)CCCC1.
What is the InChIKey of (1-phosphanylcyclopentyl)phosphane;2-(1,2,2-trifluoroethoxy)-1,3,2λ5-dioxaphosphinane 2-oxide?
The InChIKey is YDKNSOQJEBHOOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3O4P.C5H12P2/c6-4(7)5(8)12-13(9)10-2-1-3-11-13;6-5(7)3-1-2-4-5/h4-5H,1-3H2;1-4,6-7H2.
What are the key properties of (1-phosphanylcyclopentyl)phosphane;2-(1,2,2-trifluoroethoxy)-1,3,2λ5-dioxaphosphinane 2-oxide?
(1-phosphanylcyclopentyl)phosphane;2-(1,2,2-trifluoroethoxy)-1,3,2λ5-dioxaphosphinane 2-oxide has a molecular weight of 354.18 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-phosphanylcyclopentyl)phosphane;2-(1,2,2-trifluoroethoxy)-1,3,2λ5-dioxaphosphinane 2-oxide is sourced from PubChem (CID 175542787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).