[4-(difluoromethoxy)phenoxy]-dihydroxy-sulfanylidene-λ5-phosphane

C7H7F2O4PS — CID 57161593

IUPAC[4-(difluoromethoxy)phenoxy]-dihydroxy-sulfanylidene-λ5-phosphane
SMILESOP(O)(=S)Oc1ccc(OC(F)F)cc1
InChIInChI=1S/C7H7F2O4PS/c8-7(9)12-5-1-3-6(4-2-5)13-14(10,11)15/h1-4,7H,(H2,10,11,15)
InChIKeyWHWFTYSCCHYJLM-UHFFFAOYSA-N
MW256.17 g/mol
LogP1.88
Rot. Bonds4

About [4-(difluoromethoxy)phenoxy]-dihydroxy-sulfanylidene-λ5-phosphane

[4-(difluoromethoxy)phenoxy]-dihydroxy-sulfanylidene-λ5-phosphane (PubChem CID 57161593) has the molecular formula C7H7F2O4PS and a molecular weight of 256.17 g/mol. Its IUPAC name is [4-(difluoromethoxy)phenoxy]-dihydroxy-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Name[4-(difluoromethoxy)phenoxy]-dihydroxy-sulfanylidene-λ5-phosphane
PubChem CID57161593
Molecular FormulaC7H7F2O4PS
Molecular Weight256.17 g/mol
Exact Mass255.98
IUPAC Name[4-(difluoromethoxy)phenoxy]-dihydroxy-sulfanylidene-λ5-phosphane
SMILESOP(O)(=S)Oc1ccc(OC(F)F)cc1
InChIInChI=1S/C7H7F2O4PS/c8-7(9)12-5-1-3-6(4-2-5)13-14(10,11)15/h1-4,7H,(H2,10,11,15)
InChIKeyWHWFTYSCCHYJLM-UHFFFAOYSA-N
XLogP1.88
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.17
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

dihydroxy-phenoxy-sulfanylidene-λ5-phosphane;ethene
CID 88776379
4-(difluoromethoxy)aniline
CID 737363
(R)-amino-[4-(difluoromethoxy)phenyl]methanol
CID 131969253
[4-(difluoromethoxy)phenyl] N-methylcarbamate
CID 165349276
N-(4-dihydroxyphosphinothioyloxyphenyl)acetamide
CID 88758142
[4-(difluoromethoxy)phenyl]boronic acid;ethane
CID 169213308
1-[fluoro(fluoro)methoxy]-4-phenylbenzene
CID 172516407
1-(difluoromethoxy)-4-(fluoromethoxy)benzene
CID 137408791
1,3-bis[4-(difluoromethoxy)phenyl]urea
CID 11537485
4-(difluoromethoxy)benzaldehyde
CID 2736986
4-[4-(difluoromethoxy)phenoxy]aniline
CID 71414941
difluoromethoxybenzene;ethane
CID 142246454

Frequently Asked Questions

What is the IUPAC name of [4-(difluoromethoxy)phenoxy]-dihydroxy-sulfanylidene-λ5-phosphane?
The IUPAC name of [4-(difluoromethoxy)phenoxy]-dihydroxy-sulfanylidene-λ5-phosphane (CID 57161593) is [4-(difluoromethoxy)phenoxy]-dihydroxy-sulfanylidene-λ5-phosphane.
What is the SMILES notation for [4-(difluoromethoxy)phenoxy]-dihydroxy-sulfanylidene-λ5-phosphane?
The canonical SMILES for [4-(difluoromethoxy)phenoxy]-dihydroxy-sulfanylidene-λ5-phosphane is OP(O)(=S)Oc1ccc(OC(F)F)cc1.
What is the InChIKey of [4-(difluoromethoxy)phenoxy]-dihydroxy-sulfanylidene-λ5-phosphane?
The InChIKey is WHWFTYSCCHYJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F2O4PS/c8-7(9)12-5-1-3-6(4-2-5)13-14(10,11)15/h1-4,7H,(H2,10,11,15).
What are the key properties of [4-(difluoromethoxy)phenoxy]-dihydroxy-sulfanylidene-λ5-phosphane?
[4-(difluoromethoxy)phenoxy]-dihydroxy-sulfanylidene-λ5-phosphane has a molecular weight of 256.17 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(difluoromethoxy)phenoxy]-dihydroxy-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 57161593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).