(E)-1-(trifluoromethylsulfanyl)hept-1-ene

C8H13F3S — CID 132561267

IUPAC(E)-1-(trifluoromethylsulfanyl)hept-1-ene
SMILESCCCCC/C=C/SC(F)(F)F
InChIInChI=1S/C8H13F3S/c1-2-3-4-5-6-7-12-8(9,10)11/h6-7H,2-5H2,1H3/b7-6+
InChIKeyZCKHEIFWSCDHGI-VOTSOKGWSA-N
MW198.25 g/mol
LogP4.33
Rot. Bonds5

About (E)-1-(trifluoromethylsulfanyl)hept-1-ene

(E)-1-(trifluoromethylsulfanyl)hept-1-ene (PubChem CID 132561267) has the molecular formula C8H13F3S and a molecular weight of 198.25 g/mol. Its IUPAC name is (E)-1-(trifluoromethylsulfanyl)hept-1-ene.

Molecular Properties

Compound Name(E)-1-(trifluoromethylsulfanyl)hept-1-ene
PubChem CID132561267
Molecular FormulaC8H13F3S
Molecular Weight198.25 g/mol
Exact Mass198.07
IUPAC Name(E)-1-(trifluoromethylsulfanyl)hept-1-ene
SMILESCCCCC/C=C/SC(F)(F)F
InChIInChI=1S/C8H13F3S/c1-2-3-4-5-6-7-12-8(9,10)11/h6-7H,2-5H2,1H3/b7-6+
InChIKeyZCKHEIFWSCDHGI-VOTSOKGWSA-N
XLogP4.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(E)-3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluoro-1-methylsulfanyldec-1-ene
CID 134932392
(E)-3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-1-methylsulfanyloct-1-ene
CID 134933377
(Z)-1-(trifluoromethylsulfanyl)dec-1-ene
CID 166440967
(E)-1-(trifluoromethylsulfanyl)oct-1-ene
CID 166441190
(E)-1-(trifluoromethylsulfanyl)dodec-1-ene
CID 166441191
6,6,7,7,7-Pentafluoro-1-(6,6,7,7,7-pentafluorohept-1-enylsulfanyl)hept-1-ene
CID 57287545
1,1-Difluoro-7-methylsulfanylhept-1-ene
CID 87187624
(E)-1-(trifluoromethoxysulfanyl)oct-1-ene
CID 141407643
6-Ethylsulfanyl-1,5-difluorohex-1-ene
CID 173104555
(4S)-4-(trifluoromethylsulfanyl)tetradec-1-ene
CID 132524330
(E)-1-(trifluoromethylsulfanyl)dec-1-ene
CID 177540222

Frequently Asked Questions

What is the IUPAC name of (E)-1-(trifluoromethylsulfanyl)hept-1-ene?
The IUPAC name of (E)-1-(trifluoromethylsulfanyl)hept-1-ene (CID 132561267) is (E)-1-(trifluoromethylsulfanyl)hept-1-ene.
What is the SMILES notation for (E)-1-(trifluoromethylsulfanyl)hept-1-ene?
The canonical SMILES for (E)-1-(trifluoromethylsulfanyl)hept-1-ene is CCCCC/C=C/SC(F)(F)F.
What is the InChIKey of (E)-1-(trifluoromethylsulfanyl)hept-1-ene?
The InChIKey is ZCKHEIFWSCDHGI-VOTSOKGWSA-N. The full InChI is InChI=1S/C8H13F3S/c1-2-3-4-5-6-7-12-8(9,10)11/h6-7H,2-5H2,1H3/b7-6+.
What are the key properties of (E)-1-(trifluoromethylsulfanyl)hept-1-ene?
(E)-1-(trifluoromethylsulfanyl)hept-1-ene has a molecular weight of 198.25 g/mol, XLogP of 4.33, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(trifluoromethylsulfanyl)hept-1-ene is sourced from PubChem (CID 132561267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).