hydroxy-sulfanylidene-bis[2-(trifluoromethyl)phenyl]-λ5-phosphane

C14H9F6OPS — CID 89079845

IUPAChydroxy-sulfanylidene-bis[2-(trifluoromethyl)phenyl]-λ5-phosphane
SMILESOP(=S)(c1ccccc1C(F)(F)F)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H9F6OPS/c15-13(16,17)9-5-1-3-7-11(9)22(21,23)12-8-4-2-6-10(12)14(18,19)20/h1-8H,(H,21,23)
InChIKeyPBFCREOWAQTVCQ-UHFFFAOYSA-N
MW370.25 g/mol
LogP4.06
Rot. Bonds2

About hydroxy-sulfanylidene-bis[2-(trifluoromethyl)phenyl]-λ5-phosphane

hydroxy-sulfanylidene-bis[2-(trifluoromethyl)phenyl]-λ5-phosphane (PubChem CID 89079845) has the molecular formula C14H9F6OPS and a molecular weight of 370.25 g/mol. Its IUPAC name is hydroxy-sulfanylidene-bis[2-(trifluoromethyl)phenyl]-λ5-phosphane.

Molecular Properties

Compound Namehydroxy-sulfanylidene-bis[2-(trifluoromethyl)phenyl]-λ5-phosphane
PubChem CID89079845
Molecular FormulaC14H9F6OPS
Molecular Weight370.25 g/mol
Exact Mass370.00
IUPAC Namehydroxy-sulfanylidene-bis[2-(trifluoromethyl)phenyl]-λ5-phosphane
SMILESOP(=S)(c1ccccc1C(F)(F)F)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H9F6OPS/c15-13(16,17)9-5-1-3-7-11(9)22(21,23)12-8-4-2-6-10(12)14(18,19)20/h1-8H,(H,21,23)
InChIKeyPBFCREOWAQTVCQ-UHFFFAOYSA-N
XLogP4.06
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.25
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze hydroxy-sulfanylidene-bis[2-(trifluoromethyl)phenyl]-λ5-phosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of hydroxy-sulfanylidene-bis[2-(trifluoromethyl)phenyl]-λ5-phosphane?
The IUPAC name of hydroxy-sulfanylidene-bis[2-(trifluoromethyl)phenyl]-λ5-phosphane (CID 89079845) is hydroxy-sulfanylidene-bis[2-(trifluoromethyl)phenyl]-λ5-phosphane.
What is the SMILES notation for hydroxy-sulfanylidene-bis[2-(trifluoromethyl)phenyl]-λ5-phosphane?
The canonical SMILES for hydroxy-sulfanylidene-bis[2-(trifluoromethyl)phenyl]-λ5-phosphane is OP(=S)(c1ccccc1C(F)(F)F)c1ccccc1C(F)(F)F.
What is the InChIKey of hydroxy-sulfanylidene-bis[2-(trifluoromethyl)phenyl]-λ5-phosphane?
The InChIKey is PBFCREOWAQTVCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F6OPS/c15-13(16,17)9-5-1-3-7-11(9)22(21,23)12-8-4-2-6-10(12)14(18,19)20/h1-8H,(H,21,23).
What are the key properties of hydroxy-sulfanylidene-bis[2-(trifluoromethyl)phenyl]-λ5-phosphane?
hydroxy-sulfanylidene-bis[2-(trifluoromethyl)phenyl]-λ5-phosphane has a molecular weight of 370.25 g/mol, XLogP of 4.06, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-sulfanylidene-bis[2-(trifluoromethyl)phenyl]-λ5-phosphane is sourced from PubChem (CID 89079845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).