[difluoro(phenylmethoxy)methyl]sulfanylbenzene

C14H12F2OS — CID 102528018

IUPAC[difluoro(phenylmethoxy)methyl]sulfanylbenzene
SMILESFC(F)(OCc1ccccc1)Sc1ccccc1
InChIInChI=1S/C14H12F2OS/c15-14(16,18-13-9-5-2-6-10-13)17-11-12-7-3-1-4-8-12/h1-10H,11H2
InChIKeyVYWFNUFZTODEDP-UHFFFAOYSA-N
MW266.31 g/mol
LogP4.55
Rot. Bonds5

About [difluoro(phenylmethoxy)methyl]sulfanylbenzene

[difluoro(phenylmethoxy)methyl]sulfanylbenzene (PubChem CID 102528018) has the molecular formula C14H12F2OS and a molecular weight of 266.31 g/mol. Its IUPAC name is [difluoro(phenylmethoxy)methyl]sulfanylbenzene.

Molecular Properties

Compound Name[difluoro(phenylmethoxy)methyl]sulfanylbenzene
PubChem CID102528018
Molecular FormulaC14H12F2OS
Molecular Weight266.31 g/mol
Exact Mass266.06
IUPAC Name[difluoro(phenylmethoxy)methyl]sulfanylbenzene
SMILESFC(F)(OCc1ccccc1)Sc1ccccc1
InChIInChI=1S/C14H12F2OS/c15-14(16,18-13-9-5-2-6-10-13)17-11-12-7-3-1-4-8-12/h1-10H,11H2
InChIKeyVYWFNUFZTODEDP-UHFFFAOYSA-N
XLogP4.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [difluoro(phenylmethoxy)methyl]sulfanylbenzene?
The IUPAC name of [difluoro(phenylmethoxy)methyl]sulfanylbenzene (CID 102528018) is [difluoro(phenylmethoxy)methyl]sulfanylbenzene.
What is the SMILES notation for [difluoro(phenylmethoxy)methyl]sulfanylbenzene?
The canonical SMILES for [difluoro(phenylmethoxy)methyl]sulfanylbenzene is FC(F)(OCc1ccccc1)Sc1ccccc1.
What is the InChIKey of [difluoro(phenylmethoxy)methyl]sulfanylbenzene?
The InChIKey is VYWFNUFZTODEDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2OS/c15-14(16,18-13-9-5-2-6-10-13)17-11-12-7-3-1-4-8-12/h1-10H,11H2.
What are the key properties of [difluoro(phenylmethoxy)methyl]sulfanylbenzene?
[difluoro(phenylmethoxy)methyl]sulfanylbenzene has a molecular weight of 266.31 g/mol, XLogP of 4.55, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [difluoro(phenylmethoxy)methyl]sulfanylbenzene is sourced from PubChem (CID 102528018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).