(E)-4-(trifluoromethylsulfanyl)hept-3-ene

C8H13F3S — CID 129042341

IUPAC(E)-4-(trifluoromethylsulfanyl)hept-3-ene
SMILESCC/C=C(\CCC)SC(F)(F)F
InChIInChI=1S/C8H13F3S/c1-3-5-7(6-4-2)12-8(9,10)11/h5H,3-4,6H2,1-2H3/b7-5+
InChIKeyLLEJGBHSBQQTAI-FNORWQNLSA-N
MW198.25 g/mol
LogP4.33
Rot. Bonds4

About (E)-4-(trifluoromethylsulfanyl)hept-3-ene

(E)-4-(trifluoromethylsulfanyl)hept-3-ene (PubChem CID 129042341) has the molecular formula C8H13F3S and a molecular weight of 198.25 g/mol. Its IUPAC name is (E)-4-(trifluoromethylsulfanyl)hept-3-ene.

Molecular Properties

Compound Name(E)-4-(trifluoromethylsulfanyl)hept-3-ene
PubChem CID129042341
Molecular FormulaC8H13F3S
Molecular Weight198.25 g/mol
Exact Mass198.07
IUPAC Name(E)-4-(trifluoromethylsulfanyl)hept-3-ene
SMILESCC/C=C(\CCC)SC(F)(F)F
InChIInChI=1S/C8H13F3S/c1-3-5-7(6-4-2)12-8(9,10)11/h5H,3-4,6H2,1-2H3/b7-5+
InChIKeyLLEJGBHSBQQTAI-FNORWQNLSA-N
XLogP4.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.25
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(Butylsulfanyl)-3,4,4,5,5,6,6,6-octafluorohex-2-ene
CID 71429344
(E)-1-ethylsulfanyl-5,5,6,6,7,7,7-heptafluorohept-3-ene
CID 134896906
(E)-1,2-difluoro-4-methylsulfanylhept-3-ene
CID 88885976
4,4,5,5,6,6,6-Heptafluoro-1-propylsulfanylhex-2-ene
CID 91802529
1-(Trifluoromethylsulfanyl)cycloheptene
CID 132125708
1-Trifluoromethylthio-1-cyclohexene
CID 132520444
1-(Trifluoromethylsulfanyl)hept-3-ene
CID 141487420
1-(Trifluoromethylsulfanyl)non-4-ene
CID 141487431
4,4-Difluoro-1-methylsulfanylcyclohexene
CID 162616887
(Z,2S)-2-fluoro-4-methylsulfanylhept-3-ene
CID 163948036
(Z)-4-methyl-3-(3,3,3-trifluoroprop-1-en-2-ylsulfanyl)pent-2-ene
CID 166735861
(E)-4,4,5,5,6,6,6-heptafluoro-1-propylsulfanylhex-2-ene
CID 173027045

Frequently Asked Questions

What is the IUPAC name of (E)-4-(trifluoromethylsulfanyl)hept-3-ene?
The IUPAC name of (E)-4-(trifluoromethylsulfanyl)hept-3-ene (CID 129042341) is (E)-4-(trifluoromethylsulfanyl)hept-3-ene.
What is the SMILES notation for (E)-4-(trifluoromethylsulfanyl)hept-3-ene?
The canonical SMILES for (E)-4-(trifluoromethylsulfanyl)hept-3-ene is CC/C=C(\CCC)SC(F)(F)F.
What is the InChIKey of (E)-4-(trifluoromethylsulfanyl)hept-3-ene?
The InChIKey is LLEJGBHSBQQTAI-FNORWQNLSA-N. The full InChI is InChI=1S/C8H13F3S/c1-3-5-7(6-4-2)12-8(9,10)11/h5H,3-4,6H2,1-2H3/b7-5+.
What are the key properties of (E)-4-(trifluoromethylsulfanyl)hept-3-ene?
(E)-4-(trifluoromethylsulfanyl)hept-3-ene has a molecular weight of 198.25 g/mol, XLogP of 4.33, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(trifluoromethylsulfanyl)hept-3-ene is sourced from PubChem (CID 129042341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).