2-[(Z)-1,1,1,4,4,4-hexafluorobut-2-en-2-yl]sulfanylnaphthalene

C14H8F6S — CID 162407963

IUPAC2-[(Z)-1,1,1,4,4,4-hexafluorobut-2-en-2-yl]sulfanylnaphthalene
SMILESFC(F)(F)/C=C(\Sc1ccc2ccccc2c1)C(F)(F)F
InChIInChI=1S/C14H8F6S/c15-13(16,17)8-12(14(18,19)20)21-11-6-5-9-3-1-2-4-10(9)7-11/h1-8H/b12-8-
InChIKeyCJXHVNSFXASUJN-WQLSENKSSA-N
MW322.27 g/mol
LogP5.94
Rot. Bonds2

About 2-[(Z)-1,1,1,4,4,4-hexafluorobut-2-en-2-yl]sulfanylnaphthalene

2-[(Z)-1,1,1,4,4,4-hexafluorobut-2-en-2-yl]sulfanylnaphthalene (PubChem CID 162407963) has the molecular formula C14H8F6S and a molecular weight of 322.27 g/mol. Its IUPAC name is 2-[(Z)-1,1,1,4,4,4-hexafluorobut-2-en-2-yl]sulfanylnaphthalene.

Molecular Properties

Compound Name2-[(Z)-1,1,1,4,4,4-hexafluorobut-2-en-2-yl]sulfanylnaphthalene
PubChem CID162407963
Molecular FormulaC14H8F6S
Molecular Weight322.27 g/mol
Exact Mass322.03
IUPAC Name2-[(Z)-1,1,1,4,4,4-hexafluorobut-2-en-2-yl]sulfanylnaphthalene
SMILESFC(F)(F)/C=C(\Sc1ccc2ccccc2c1)C(F)(F)F
InChIInChI=1S/C14H8F6S/c15-13(16,17)8-12(14(18,19)20)21-11-6-5-9-3-1-2-4-10(9)7-11/h1-8H/b12-8-
InChIKeyCJXHVNSFXASUJN-WQLSENKSSA-N
XLogP5.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.27
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-1,1,1,4,4,4-hexafluorobut-2-en-2-yl]sulfanylnaphthalene?
The IUPAC name of 2-[(Z)-1,1,1,4,4,4-hexafluorobut-2-en-2-yl]sulfanylnaphthalene (CID 162407963) is 2-[(Z)-1,1,1,4,4,4-hexafluorobut-2-en-2-yl]sulfanylnaphthalene.
What is the SMILES notation for 2-[(Z)-1,1,1,4,4,4-hexafluorobut-2-en-2-yl]sulfanylnaphthalene?
The canonical SMILES for 2-[(Z)-1,1,1,4,4,4-hexafluorobut-2-en-2-yl]sulfanylnaphthalene is FC(F)(F)/C=C(\Sc1ccc2ccccc2c1)C(F)(F)F.
What is the InChIKey of 2-[(Z)-1,1,1,4,4,4-hexafluorobut-2-en-2-yl]sulfanylnaphthalene?
The InChIKey is CJXHVNSFXASUJN-WQLSENKSSA-N. The full InChI is InChI=1S/C14H8F6S/c15-13(16,17)8-12(14(18,19)20)21-11-6-5-9-3-1-2-4-10(9)7-11/h1-8H/b12-8-.
What are the key properties of 2-[(Z)-1,1,1,4,4,4-hexafluorobut-2-en-2-yl]sulfanylnaphthalene?
2-[(Z)-1,1,1,4,4,4-hexafluorobut-2-en-2-yl]sulfanylnaphthalene has a molecular weight of 322.27 g/mol, XLogP of 5.94, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-1,1,1,4,4,4-hexafluorobut-2-en-2-yl]sulfanylnaphthalene is sourced from PubChem (CID 162407963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).