[4-[2-(fluoromethoxy)phenyl]phenyl]-imino-methyl-oxo-λ6-sulfane

C14H14FNO2S — CID 137364063

IUPAC[4-[2-(fluoromethoxy)phenyl]phenyl]-imino-methyl-oxo-λ6-sulfane
SMILES[H]N=S(C)(=O)c1ccc(-c2ccccc2OCF)cc1
InChIInChI=1S/C14H14FNO2S/c1-19(16,17)12-8-6-11(7-9-12)13-4-2-3-5-14(13)18-10-15/h2-9,16H,10H2,1H3
InChIKeyVCSBOASGFYJGGT-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.69
Rot. Bonds4

About [4-[2-(fluoromethoxy)phenyl]phenyl]-imino-methyl-oxo-λ6-sulfane

[4-[2-(fluoromethoxy)phenyl]phenyl]-imino-methyl-oxo-λ6-sulfane (PubChem CID 137364063) has the molecular formula C14H14FNO2S and a molecular weight of 279.34 g/mol. Its IUPAC name is [4-[2-(fluoromethoxy)phenyl]phenyl]-imino-methyl-oxo-λ6-sulfane.

Molecular Properties

Compound Name[4-[2-(fluoromethoxy)phenyl]phenyl]-imino-methyl-oxo-λ6-sulfane
PubChem CID137364063
Molecular FormulaC14H14FNO2S
Molecular Weight279.34 g/mol
Exact Mass279.07
IUPAC Name[4-[2-(fluoromethoxy)phenyl]phenyl]-imino-methyl-oxo-λ6-sulfane
SMILES[H]N=S(C)(=O)c1ccc(-c2ccccc2OCF)cc1
InChIInChI=1S/C14H14FNO2S/c1-19(16,17)12-8-6-11(7-9-12)13-4-2-3-5-14(13)18-10-15/h2-9,16H,10H2,1H3
InChIKeyVCSBOASGFYJGGT-UHFFFAOYSA-N
XLogP3.69
TPSA50.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[2-(fluoromethoxy)phenyl]phenyl]-imino-methyl-oxo-λ6-sulfane?
The IUPAC name of [4-[2-(fluoromethoxy)phenyl]phenyl]-imino-methyl-oxo-λ6-sulfane (CID 137364063) is [4-[2-(fluoromethoxy)phenyl]phenyl]-imino-methyl-oxo-λ6-sulfane.
What is the SMILES notation for [4-[2-(fluoromethoxy)phenyl]phenyl]-imino-methyl-oxo-λ6-sulfane?
The canonical SMILES for [4-[2-(fluoromethoxy)phenyl]phenyl]-imino-methyl-oxo-λ6-sulfane is [H]N=S(C)(=O)c1ccc(-c2ccccc2OCF)cc1.
What is the InChIKey of [4-[2-(fluoromethoxy)phenyl]phenyl]-imino-methyl-oxo-λ6-sulfane?
The InChIKey is VCSBOASGFYJGGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO2S/c1-19(16,17)12-8-6-11(7-9-12)13-4-2-3-5-14(13)18-10-15/h2-9,16H,10H2,1H3.
What are the key properties of [4-[2-(fluoromethoxy)phenyl]phenyl]-imino-methyl-oxo-λ6-sulfane?
[4-[2-(fluoromethoxy)phenyl]phenyl]-imino-methyl-oxo-λ6-sulfane has a molecular weight of 279.34 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(fluoromethoxy)phenyl]phenyl]-imino-methyl-oxo-λ6-sulfane is sourced from PubChem (CID 137364063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).