dihydroxy-sulfanylidene-[[(2S,5R)-5-[4-(trifluoromethyl)benzotriazol-1-yl]oxolan-2-yl]methoxy]-λ5-phosphane

C12H13F3N3O4PS — CID 154990448

IUPACdihydroxy-sulfanylidene-[[(2S,5R)-5-[4-(trifluoromethyl)benzotriazol-1-yl]oxolan-2-yl]methoxy]-λ5-phosphane
SMILESOP(O)(=S)OC[C@@H]1CC[C@H](n2nnc3c(C(F)(F)F)cccc32)O1
InChIInChI=1S/C12H13F3N3O4PS/c13-12(14,15)8-2-1-3-9-11(8)16-17-18(9)10-5-4-7(22-10)6-21-23(19,20)24/h1-3,7,10H,4-6H2,(H2,19,20,24)/t7-,10+/m0/s1
InChIKeyWRHLNFHSXSEABB-OIBJUYFYSA-N
MW383.29 g/mol
LogP2.35
Rot. Bonds4

About dihydroxy-sulfanylidene-[[(2S,5R)-5-[4-(trifluoromethyl)benzotriazol-1-yl]oxolan-2-yl]methoxy]-λ5-phosphane

dihydroxy-sulfanylidene-[[(2S,5R)-5-[4-(trifluoromethyl)benzotriazol-1-yl]oxolan-2-yl]methoxy]-λ5-phosphane (PubChem CID 154990448) has the molecular formula C12H13F3N3O4PS and a molecular weight of 383.29 g/mol. Its IUPAC name is dihydroxy-sulfanylidene-[[(2S,5R)-5-[4-(trifluoromethyl)benzotriazol-1-yl]oxolan-2-yl]methoxy]-λ5-phosphane.

Molecular Properties

Compound Namedihydroxy-sulfanylidene-[[(2S,5R)-5-[4-(trifluoromethyl)benzotriazol-1-yl]oxolan-2-yl]methoxy]-λ5-phosphane
PubChem CID154990448
Molecular FormulaC12H13F3N3O4PS
Molecular Weight383.29 g/mol
Exact Mass383.03
IUPAC Namedihydroxy-sulfanylidene-[[(2S,5R)-5-[4-(trifluoromethyl)benzotriazol-1-yl]oxolan-2-yl]methoxy]-λ5-phosphane
SMILESOP(O)(=S)OC[C@@H]1CC[C@H](n2nnc3c(C(F)(F)F)cccc32)O1
InChIInChI=1S/C12H13F3N3O4PS/c13-12(14,15)8-2-1-3-9-11(8)16-17-18(9)10-5-4-7(22-10)6-21-23(19,20)24/h1-3,7,10H,4-6H2,(H2,19,20,24)/t7-,10+/m0/s1
InChIKeyWRHLNFHSXSEABB-OIBJUYFYSA-N
XLogP2.35
TPSA89.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.29
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze dihydroxy-sulfanylidene-[[(2S,5R)-5-[4-(trifluoromethyl)benzotriazol-1-yl]oxolan-2-yl]methoxy]-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 dihydroxy-sulfanylidene-[[(2S,5R)-5-[4-(trifluoromethyl)benzotriazol-1-yl]oxolan-2-yl]methoxy]-λ5-phosphane?
The IUPAC name of dihydroxy-sulfanylidene-[[(2S,5R)-5-[4-(trifluoromethyl)benzotriazol-1-yl]oxolan-2-yl]methoxy]-λ5-phosphane (CID 154990448) is dihydroxy-sulfanylidene-[[(2S,5R)-5-[4-(trifluoromethyl)benzotriazol-1-yl]oxolan-2-yl]methoxy]-λ5-phosphane.
What is the SMILES notation for dihydroxy-sulfanylidene-[[(2S,5R)-5-[4-(trifluoromethyl)benzotriazol-1-yl]oxolan-2-yl]methoxy]-λ5-phosphane?
The canonical SMILES for dihydroxy-sulfanylidene-[[(2S,5R)-5-[4-(trifluoromethyl)benzotriazol-1-yl]oxolan-2-yl]methoxy]-λ5-phosphane is OP(O)(=S)OC[C@@H]1CC[C@H](n2nnc3c(C(F)(F)F)cccc32)O1.
What is the InChIKey of dihydroxy-sulfanylidene-[[(2S,5R)-5-[4-(trifluoromethyl)benzotriazol-1-yl]oxolan-2-yl]methoxy]-λ5-phosphane?
The InChIKey is WRHLNFHSXSEABB-OIBJUYFYSA-N. The full InChI is InChI=1S/C12H13F3N3O4PS/c13-12(14,15)8-2-1-3-9-11(8)16-17-18(9)10-5-4-7(22-10)6-21-23(19,20)24/h1-3,7,10H,4-6H2,(H2,19,20,24)/t7-,10+/m0/s1.
What are the key properties of dihydroxy-sulfanylidene-[[(2S,5R)-5-[4-(trifluoromethyl)benzotriazol-1-yl]oxolan-2-yl]methoxy]-λ5-phosphane?
dihydroxy-sulfanylidene-[[(2S,5R)-5-[4-(trifluoromethyl)benzotriazol-1-yl]oxolan-2-yl]methoxy]-λ5-phosphane has a molecular weight of 383.29 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxy-sulfanylidene-[[(2S,5R)-5-[4-(trifluoromethyl)benzotriazol-1-yl]oxolan-2-yl]methoxy]-λ5-phosphane is sourced from PubChem (CID 154990448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).