[fluoro(methoxy)phosphoryl]oxymethane;phenylsulfanylbenzene

C14H16FO3PS — CID 175955141

IUPAC[fluoro(methoxy)phosphoryl]oxymethane;phenylsulfanylbenzene
SMILESCOP(=O)(F)OC.c1ccc(Sc2ccccc2)cc1
InChIInChI=1S/C12H10S.C2H6FO3P/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-5-7(3,4)6-2/h1-10H;1-2H3
InChIKeySRKTYEXTMFGMEX-UHFFFAOYSA-N
MW314.32 g/mol
LogP5.19
Rot. Bonds4

About [fluoro(methoxy)phosphoryl]oxymethane;phenylsulfanylbenzene

[fluoro(methoxy)phosphoryl]oxymethane;phenylsulfanylbenzene (PubChem CID 175955141) has the molecular formula C14H16FO3PS and a molecular weight of 314.32 g/mol. Its IUPAC name is [fluoro(methoxy)phosphoryl]oxymethane;phenylsulfanylbenzene.

Molecular Properties

Compound Name[fluoro(methoxy)phosphoryl]oxymethane;phenylsulfanylbenzene
PubChem CID175955141
Molecular FormulaC14H16FO3PS
Molecular Weight314.32 g/mol
Exact Mass314.05
IUPAC Name[fluoro(methoxy)phosphoryl]oxymethane;phenylsulfanylbenzene
SMILESCOP(=O)(F)OC.c1ccc(Sc2ccccc2)cc1
InChIInChI=1S/C12H10S.C2H6FO3P/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-5-7(3,4)6-2/h1-10H;1-2H3
InChIKeySRKTYEXTMFGMEX-UHFFFAOYSA-N
XLogP5.19
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.32
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [fluoro(methoxy)phosphoryl]oxymethane;phenylsulfanylbenzene?
The IUPAC name of [fluoro(methoxy)phosphoryl]oxymethane;phenylsulfanylbenzene (CID 175955141) is [fluoro(methoxy)phosphoryl]oxymethane;phenylsulfanylbenzene.
What is the SMILES notation for [fluoro(methoxy)phosphoryl]oxymethane;phenylsulfanylbenzene?
The canonical SMILES for [fluoro(methoxy)phosphoryl]oxymethane;phenylsulfanylbenzene is COP(=O)(F)OC.c1ccc(Sc2ccccc2)cc1.
What is the InChIKey of [fluoro(methoxy)phosphoryl]oxymethane;phenylsulfanylbenzene?
The InChIKey is SRKTYEXTMFGMEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10S.C2H6FO3P/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-5-7(3,4)6-2/h1-10H;1-2H3.
What are the key properties of [fluoro(methoxy)phosphoryl]oxymethane;phenylsulfanylbenzene?
[fluoro(methoxy)phosphoryl]oxymethane;phenylsulfanylbenzene has a molecular weight of 314.32 g/mol, XLogP of 5.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [fluoro(methoxy)phosphoryl]oxymethane;phenylsulfanylbenzene is sourced from PubChem (CID 175955141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).