N-[tris(2,2,2-trifluoroethoxy)-λ5-phosphanylidene]methanesulfonamide

C7H9F9NO5PS — CID 71359382

IUPACN-[tris(2,2,2-trifluoroethoxy)-λ5-phosphanylidene]methanesulfonamide
SMILESCS(=O)(=O)N=P(OCC(F)(F)F)(OCC(F)(F)F)OCC(F)(F)F
InChIInChI=1S/C7H9F9NO5PS/c1-24(18,19)17-23(20-2-5(8,9)10,21-3-6(11,12)13)22-4-7(14,15)16/h2-4H2,1H3
InChIKeySEUZQGHKQSLZCM-UHFFFAOYSA-N
MW421.17 g/mol
LogP3.63
Rot. Bonds7

About N-[tris(2,2,2-trifluoroethoxy)-λ5-phosphanylidene]methanesulfonamide

N-[tris(2,2,2-trifluoroethoxy)-λ5-phosphanylidene]methanesulfonamide (PubChem CID 71359382) has the molecular formula C7H9F9NO5PS and a molecular weight of 421.17 g/mol. Its IUPAC name is N-[tris(2,2,2-trifluoroethoxy)-λ5-phosphanylidene]methanesulfonamide.

Molecular Properties

Compound NameN-[tris(2,2,2-trifluoroethoxy)-λ5-phosphanylidene]methanesulfonamide
PubChem CID71359382
Molecular FormulaC7H9F9NO5PS
Molecular Weight421.17 g/mol
Exact Mass420.98
IUPAC NameN-[tris(2,2,2-trifluoroethoxy)-λ5-phosphanylidene]methanesulfonamide
SMILESCS(=O)(=O)N=P(OCC(F)(F)F)(OCC(F)(F)F)OCC(F)(F)F
InChIInChI=1S/C7H9F9NO5PS/c1-24(18,19)17-23(20-2-5(8,9)10,21-3-6(11,12)13)22-4-7(14,15)16/h2-4H2,1H3
InChIKeySEUZQGHKQSLZCM-UHFFFAOYSA-N
XLogP3.63
TPSA74.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.17
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[tris(2,2,2-trifluoroethoxy)-λ5-phosphanylidene]methanesulfonamide?
The IUPAC name of N-[tris(2,2,2-trifluoroethoxy)-λ5-phosphanylidene]methanesulfonamide (CID 71359382) is N-[tris(2,2,2-trifluoroethoxy)-λ5-phosphanylidene]methanesulfonamide.
What is the SMILES notation for N-[tris(2,2,2-trifluoroethoxy)-λ5-phosphanylidene]methanesulfonamide?
The canonical SMILES for N-[tris(2,2,2-trifluoroethoxy)-λ5-phosphanylidene]methanesulfonamide is CS(=O)(=O)N=P(OCC(F)(F)F)(OCC(F)(F)F)OCC(F)(F)F.
What is the InChIKey of N-[tris(2,2,2-trifluoroethoxy)-λ5-phosphanylidene]methanesulfonamide?
The InChIKey is SEUZQGHKQSLZCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F9NO5PS/c1-24(18,19)17-23(20-2-5(8,9)10,21-3-6(11,12)13)22-4-7(14,15)16/h2-4H2,1H3.
What are the key properties of N-[tris(2,2,2-trifluoroethoxy)-λ5-phosphanylidene]methanesulfonamide?
N-[tris(2,2,2-trifluoroethoxy)-λ5-phosphanylidene]methanesulfonamide has a molecular weight of 421.17 g/mol, XLogP of 3.63, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[tris(2,2,2-trifluoroethoxy)-λ5-phosphanylidene]methanesulfonamide is sourced from PubChem (CID 71359382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).