pentafluoro-[4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-λ6-sulfane

C12H7F8NOS — CID 146306916

IUPACpentafluoro-[4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-λ6-sulfane
SMILESFC(F)(F)c1cccc(Oc2ccc(S(F)(F)(F)(F)F)cc2)n1
InChIInChI=1S/C12H7F8NOS/c13-12(14,15)10-2-1-3-11(21-10)22-8-4-6-9(7-5-8)23(16,17,18,19)20/h1-7H
InChIKeyFBMUAYWCDOPNRW-UHFFFAOYSA-N
MW365.25 g/mol
LogP6.55
Rot. Bonds3

About pentafluoro-[4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-λ6-sulfane

pentafluoro-[4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-λ6-sulfane (PubChem CID 146306916) has the molecular formula C12H7F8NOS and a molecular weight of 365.25 g/mol. Its IUPAC name is pentafluoro-[4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-λ6-sulfane.

Molecular Properties

Compound Namepentafluoro-[4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-λ6-sulfane
PubChem CID146306916
Molecular FormulaC12H7F8NOS
Molecular Weight365.25 g/mol
Exact Mass365.01
IUPAC Namepentafluoro-[4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-λ6-sulfane
SMILESFC(F)(F)c1cccc(Oc2ccc(S(F)(F)(F)(F)F)cc2)n1
InChIInChI=1S/C12H7F8NOS/c13-12(14,15)10-2-1-3-11(21-10)22-8-4-6-9(7-5-8)23(16,17,18,19)20/h1-7H
InChIKeyFBMUAYWCDOPNRW-UHFFFAOYSA-N
XLogP6.55
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.25
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of pentafluoro-[4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-λ6-sulfane?
The IUPAC name of pentafluoro-[4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-λ6-sulfane (CID 146306916) is pentafluoro-[4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-λ6-sulfane.
What is the SMILES notation for pentafluoro-[4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-λ6-sulfane?
The canonical SMILES for pentafluoro-[4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-λ6-sulfane is FC(F)(F)c1cccc(Oc2ccc(S(F)(F)(F)(F)F)cc2)n1.
What is the InChIKey of pentafluoro-[4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-λ6-sulfane?
The InChIKey is FBMUAYWCDOPNRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F8NOS/c13-12(14,15)10-2-1-3-11(21-10)22-8-4-6-9(7-5-8)23(16,17,18,19)20/h1-7H.
What are the key properties of pentafluoro-[4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-λ6-sulfane?
pentafluoro-[4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-λ6-sulfane has a molecular weight of 365.25 g/mol, XLogP of 6.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pentafluoro-[4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-λ6-sulfane is sourced from PubChem (CID 146306916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).