pentafluoro-(6-fluoronaphthalen-2-yl)-λ6-sulfane

C10H6F6S — CID 11637606

IUPACpentafluoro-(6-fluoronaphthalen-2-yl)-λ6-sulfane
SMILESFc1ccc2cc(S(F)(F)(F)(F)F)ccc2c1
InChIInChI=1S/C10H6F6S/c11-9-3-1-8-6-10(4-2-7(8)5-9)17(12,13,14,15)16/h1-6H
InChIKeyGKXHVBXHNPOPQW-UHFFFAOYSA-N
MW272.21 g/mol
LogP5.64
Rot. Bonds1

About pentafluoro-(6-fluoronaphthalen-2-yl)-λ6-sulfane

pentafluoro-(6-fluoronaphthalen-2-yl)-λ6-sulfane (PubChem CID 11637606) has the molecular formula C10H6F6S and a molecular weight of 272.21 g/mol. Its IUPAC name is pentafluoro-(6-fluoronaphthalen-2-yl)-λ6-sulfane.

Molecular Properties

Compound Namepentafluoro-(6-fluoronaphthalen-2-yl)-λ6-sulfane
PubChem CID11637606
Molecular FormulaC10H6F6S
Molecular Weight272.21 g/mol
Exact Mass272.01
IUPAC Namepentafluoro-(6-fluoronaphthalen-2-yl)-λ6-sulfane
SMILESFc1ccc2cc(S(F)(F)(F)(F)F)ccc2c1
InChIInChI=1S/C10H6F6S/c11-9-3-1-8-6-10(4-2-7(8)5-9)17(12,13,14,15)16/h1-6H
InChIKeyGKXHVBXHNPOPQW-UHFFFAOYSA-N
XLogP5.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.21
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-Naphthalenethiol
CID 7058
1-Naphthalenethiol
CID 68259
Naphthalene-2-sulfonyl fluoride
CID 12409712
5,6,7,8-Tetrahydronaphthalene-2-thiol
CID 12698218
1-[(Trifluoromethyl)thio]naphthalene
CID 102194842
Trifluoromethyl 2-naphthyl sulfide
CID 102326014
2-(1,1,2,2-Tetrafluoroethylsulfanyl)naphthalene
CID 176422284
1,2,3,4-Tetrafluoronaphthalene
CID 12343952
2-Pentafluorosulfanylnaphthalene
CID 21079863
(3,4-Dimethylphenyl)-pentafluoro-lambda6-sulfane
CID 134929622
2-(1,2,2-Trifluoroethenylsulfanyl)naphthalene
CID 171618825
Naphthalene-2,6-dithiol
CID 13379616

Frequently Asked Questions

What is the IUPAC name of pentafluoro-(6-fluoronaphthalen-2-yl)-λ6-sulfane?
The IUPAC name of pentafluoro-(6-fluoronaphthalen-2-yl)-λ6-sulfane (CID 11637606) is pentafluoro-(6-fluoronaphthalen-2-yl)-λ6-sulfane.
What is the SMILES notation for pentafluoro-(6-fluoronaphthalen-2-yl)-λ6-sulfane?
The canonical SMILES for pentafluoro-(6-fluoronaphthalen-2-yl)-λ6-sulfane is Fc1ccc2cc(S(F)(F)(F)(F)F)ccc2c1.
What is the InChIKey of pentafluoro-(6-fluoronaphthalen-2-yl)-λ6-sulfane?
The InChIKey is GKXHVBXHNPOPQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F6S/c11-9-3-1-8-6-10(4-2-7(8)5-9)17(12,13,14,15)16/h1-6H.
What are the key properties of pentafluoro-(6-fluoronaphthalen-2-yl)-λ6-sulfane?
pentafluoro-(6-fluoronaphthalen-2-yl)-λ6-sulfane has a molecular weight of 272.21 g/mol, XLogP of 5.64, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for pentafluoro-(6-fluoronaphthalen-2-yl)-λ6-sulfane is sourced from PubChem (CID 11637606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).