[difluoro(naphthalen-1-yl)methyl]-dioxido-sulfanylidene-λ5-phosphane

C11H7F2O2PS-2 — CID 23236801

IUPAC[difluoro(naphthalen-1-yl)methyl]-dioxido-sulfanylidene-λ5-phosphane
SMILES[O-]P([O-])(=S)C(F)(F)c1cccc2ccccc12
InChIInChI=1S/C11H9F2O2PS/c12-11(13,16(14,15)17)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H2,14,15,17)/p-2
InChIKeyDEEVDNMREOHDLO-UHFFFAOYSA-L
MW272.21 g/mol
LogP1.92
Rot. Bonds2

About [difluoro(naphthalen-1-yl)methyl]-dioxido-sulfanylidene-λ5-phosphane

[difluoro(naphthalen-1-yl)methyl]-dioxido-sulfanylidene-λ5-phosphane (PubChem CID 23236801) has the molecular formula C11H7F2O2PS-2 and a molecular weight of 272.21 g/mol. Its IUPAC name is [difluoro(naphthalen-1-yl)methyl]-dioxido-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Name[difluoro(naphthalen-1-yl)methyl]-dioxido-sulfanylidene-λ5-phosphane
PubChem CID23236801
Molecular FormulaC11H7F2O2PS-2
Molecular Weight272.21 g/mol
Exact Mass271.99
IUPAC Name[difluoro(naphthalen-1-yl)methyl]-dioxido-sulfanylidene-λ5-phosphane
SMILES[O-]P([O-])(=S)C(F)(F)c1cccc2ccccc12
InChIInChI=1S/C11H9F2O2PS/c12-11(13,16(14,15)17)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H2,14,15,17)/p-2
InChIKeyDEEVDNMREOHDLO-UHFFFAOYSA-L
XLogP1.92
TPSA46.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.21
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [difluoro(naphthalen-1-yl)methyl]-dioxido-sulfanylidene-λ5-phosphane?
The IUPAC name of [difluoro(naphthalen-1-yl)methyl]-dioxido-sulfanylidene-λ5-phosphane (CID 23236801) is [difluoro(naphthalen-1-yl)methyl]-dioxido-sulfanylidene-λ5-phosphane.
What is the SMILES notation for [difluoro(naphthalen-1-yl)methyl]-dioxido-sulfanylidene-λ5-phosphane?
The canonical SMILES for [difluoro(naphthalen-1-yl)methyl]-dioxido-sulfanylidene-λ5-phosphane is [O-]P([O-])(=S)C(F)(F)c1cccc2ccccc12.
What is the InChIKey of [difluoro(naphthalen-1-yl)methyl]-dioxido-sulfanylidene-λ5-phosphane?
The InChIKey is DEEVDNMREOHDLO-UHFFFAOYSA-L. The full InChI is InChI=1S/C11H9F2O2PS/c12-11(13,16(14,15)17)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H2,14,15,17)/p-2.
What are the key properties of [difluoro(naphthalen-1-yl)methyl]-dioxido-sulfanylidene-λ5-phosphane?
[difluoro(naphthalen-1-yl)methyl]-dioxido-sulfanylidene-λ5-phosphane has a molecular weight of 272.21 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [difluoro(naphthalen-1-yl)methyl]-dioxido-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 23236801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).