(E)-3,3,3-trifluoro-1-[(E)-3,3,3-trifluoroprop-1-enyl]sulfanylprop-1-ene

C6H4F6S — CID 87597196

IUPAC(E)-3,3,3-trifluoro-1-[(E)-3,3,3-trifluoroprop-1-enyl]sulfanylprop-1-ene
SMILESFC(F)(F)/C=C/S/C=C/C(F)(F)F
InChIInChI=1S/C6H4F6S/c7-5(8,9)1-3-13-4-2-6(10,11)12/h1-4H/b3-1+,4-2+
InChIKeyNCWGGLGJAIMOJQ-ZPUQHVIOSA-N
MW222.15 g/mol
LogP3.87
Rot. Bonds2

About (E)-3,3,3-trifluoro-1-[(E)-3,3,3-trifluoroprop-1-enyl]sulfanylprop-1-ene

(E)-3,3,3-trifluoro-1-[(E)-3,3,3-trifluoroprop-1-enyl]sulfanylprop-1-ene (PubChem CID 87597196) has the molecular formula C6H4F6S and a molecular weight of 222.15 g/mol. Its IUPAC name is (E)-3,3,3-trifluoro-1-[(E)-3,3,3-trifluoroprop-1-enyl]sulfanylprop-1-ene.

Molecular Properties

Compound Name(E)-3,3,3-trifluoro-1-[(E)-3,3,3-trifluoroprop-1-enyl]sulfanylprop-1-ene
PubChem CID87597196
Molecular FormulaC6H4F6S
Molecular Weight222.15 g/mol
Exact Mass221.99
IUPAC Name(E)-3,3,3-trifluoro-1-[(E)-3,3,3-trifluoroprop-1-enyl]sulfanylprop-1-ene
SMILESFC(F)(F)/C=C/S/C=C/C(F)(F)F
InChIInChI=1S/C6H4F6S/c7-5(8,9)1-3-13-4-2-6(10,11)12/h1-4H/b3-1+,4-2+
InChIKeyNCWGGLGJAIMOJQ-ZPUQHVIOSA-N
XLogP3.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.15
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,1,1,6,6,6-hexafluorohexa-2,4-diene
CID 71367258
3,3,3-trifluoroprop-1-enylsulfanylbenzene
CID 73014289
1-chloro-3,3,3-trifluoroprop-1-ene;(E)-1-chloro-3,3,3-trifluoroprop-1-ene
CID 158927719
(E)-1,1,1,4,4,4-hexafluorobut-2-ene;propane
CID 90329560
3,3,3-trifluoroprop-1-ene-1-thiol
CID 154141998
3,3,3-trifluoroprop-1-ene
CID 90915807
(E)-1,1,1,4,4,5,5,5-octafluoropent-2-ene
CID 18520951
carbonic acid;1,1,1,4,4,4-hexafluorobut-2-ene
CID 160871889
4,4,4-trifluorobut-2-enoyl 4,4,4-trifluorobut-2-enoate
CID 87154543
carbon dioxide;1,3,3,3-tetrafluoroprop-1-ene
CID 170161980
4,4-dichloro-1,1,1,5,5,5-hexafluoropent-2-ene
CID 168864635
1,1,1,4,4,5,5,6,6,6-decafluorohex-2-ene
CID 73177908

Frequently Asked Questions

What is the IUPAC name of (E)-3,3,3-trifluoro-1-[(E)-3,3,3-trifluoroprop-1-enyl]sulfanylprop-1-ene?
The IUPAC name of (E)-3,3,3-trifluoro-1-[(E)-3,3,3-trifluoroprop-1-enyl]sulfanylprop-1-ene (CID 87597196) is (E)-3,3,3-trifluoro-1-[(E)-3,3,3-trifluoroprop-1-enyl]sulfanylprop-1-ene.
What is the SMILES notation for (E)-3,3,3-trifluoro-1-[(E)-3,3,3-trifluoroprop-1-enyl]sulfanylprop-1-ene?
The canonical SMILES for (E)-3,3,3-trifluoro-1-[(E)-3,3,3-trifluoroprop-1-enyl]sulfanylprop-1-ene is FC(F)(F)/C=C/S/C=C/C(F)(F)F.
What is the InChIKey of (E)-3,3,3-trifluoro-1-[(E)-3,3,3-trifluoroprop-1-enyl]sulfanylprop-1-ene?
The InChIKey is NCWGGLGJAIMOJQ-ZPUQHVIOSA-N. The full InChI is InChI=1S/C6H4F6S/c7-5(8,9)1-3-13-4-2-6(10,11)12/h1-4H/b3-1+,4-2+.
What are the key properties of (E)-3,3,3-trifluoro-1-[(E)-3,3,3-trifluoroprop-1-enyl]sulfanylprop-1-ene?
(E)-3,3,3-trifluoro-1-[(E)-3,3,3-trifluoroprop-1-enyl]sulfanylprop-1-ene has a molecular weight of 222.15 g/mol, XLogP of 3.87, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3,3,3-trifluoro-1-[(E)-3,3,3-trifluoroprop-1-enyl]sulfanylprop-1-ene is sourced from PubChem (CID 87597196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).