fluoro-(furan-2-ylmethylimino)-naphthalen-2-yl-oxo-λ6-sulfane

C15H12FNO2S — CID 172635724

IUPACfluoro-(furan-2-ylmethylimino)-naphthalen-2-yl-oxo-λ6-sulfane
SMILESO=[S@](F)(=NCc1ccco1)c1ccc2ccccc2c1
InChIInChI=1S/C15H12FNO2S/c16-20(18,17-11-14-6-3-9-19-14)15-8-7-12-4-1-2-5-13(12)10-15/h1-10H,11H2/t20-/m1/s1
InChIKeyQCPCMPVVMWDGIX-HXUWFJFHSA-N
MW289.33 g/mol
LogP4.34
Rot. Bonds3

About fluoro-(furan-2-ylmethylimino)-naphthalen-2-yl-oxo-λ6-sulfane

fluoro-(furan-2-ylmethylimino)-naphthalen-2-yl-oxo-λ6-sulfane (PubChem CID 172635724) has the molecular formula C15H12FNO2S and a molecular weight of 289.33 g/mol. Its IUPAC name is fluoro-(furan-2-ylmethylimino)-naphthalen-2-yl-oxo-λ6-sulfane.

Molecular Properties

Compound Namefluoro-(furan-2-ylmethylimino)-naphthalen-2-yl-oxo-λ6-sulfane
PubChem CID172635724
Molecular FormulaC15H12FNO2S
Molecular Weight289.33 g/mol
Exact Mass289.06
IUPAC Namefluoro-(furan-2-ylmethylimino)-naphthalen-2-yl-oxo-λ6-sulfane
SMILESO=[S@](F)(=NCc1ccco1)c1ccc2ccccc2c1
InChIInChI=1S/C15H12FNO2S/c16-20(18,17-11-14-6-3-9-19-14)15-8-7-12-4-1-2-5-13(12)10-15/h1-10H,11H2/t20-/m1/s1
InChIKeyQCPCMPVVMWDGIX-HXUWFJFHSA-N
XLogP4.34
TPSA42.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of fluoro-(furan-2-ylmethylimino)-naphthalen-2-yl-oxo-λ6-sulfane?
The IUPAC name of fluoro-(furan-2-ylmethylimino)-naphthalen-2-yl-oxo-λ6-sulfane (CID 172635724) is fluoro-(furan-2-ylmethylimino)-naphthalen-2-yl-oxo-λ6-sulfane.
What is the SMILES notation for fluoro-(furan-2-ylmethylimino)-naphthalen-2-yl-oxo-λ6-sulfane?
The canonical SMILES for fluoro-(furan-2-ylmethylimino)-naphthalen-2-yl-oxo-λ6-sulfane is O=[S@](F)(=NCc1ccco1)c1ccc2ccccc2c1.
What is the InChIKey of fluoro-(furan-2-ylmethylimino)-naphthalen-2-yl-oxo-λ6-sulfane?
The InChIKey is QCPCMPVVMWDGIX-HXUWFJFHSA-N. The full InChI is InChI=1S/C15H12FNO2S/c16-20(18,17-11-14-6-3-9-19-14)15-8-7-12-4-1-2-5-13(12)10-15/h1-10H,11H2/t20-/m1/s1.
What are the key properties of fluoro-(furan-2-ylmethylimino)-naphthalen-2-yl-oxo-λ6-sulfane?
fluoro-(furan-2-ylmethylimino)-naphthalen-2-yl-oxo-λ6-sulfane has a molecular weight of 289.33 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro-(furan-2-ylmethylimino)-naphthalen-2-yl-oxo-λ6-sulfane is sourced from PubChem (CID 172635724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).