acetylene;(Z)-5,5,5-trifluoro-4-methyl-3-methylsulfanylpent-2-ene

C9H13F3S — CID 142856829

IUPACacetylene;(Z)-5,5,5-trifluoro-4-methyl-3-methylsulfanylpent-2-ene
SMILESC#C.C/C=C(\SC)C(C)C(F)(F)F
InChIInChI=1S/C7H11F3S.C2H2/c1-4-6(11-3)5(2)7(8,9)10;1-2/h4-5H,1-3H3;1-2H/b6-4-;
InChIKeyIPNONBPPDRSHCL-YHSAGPEESA-N
MW210.26 g/mol
LogP3.70
Rot. Bonds2

About acetylene;(Z)-5,5,5-trifluoro-4-methyl-3-methylsulfanylpent-2-ene

acetylene;(Z)-5,5,5-trifluoro-4-methyl-3-methylsulfanylpent-2-ene (PubChem CID 142856829) has the molecular formula C9H13F3S and a molecular weight of 210.26 g/mol. Its IUPAC name is acetylene;(Z)-5,5,5-trifluoro-4-methyl-3-methylsulfanylpent-2-ene.

Molecular Properties

Compound Nameacetylene;(Z)-5,5,5-trifluoro-4-methyl-3-methylsulfanylpent-2-ene
PubChem CID142856829
Molecular FormulaC9H13F3S
Molecular Weight210.26 g/mol
Exact Mass210.07
IUPAC Nameacetylene;(Z)-5,5,5-trifluoro-4-methyl-3-methylsulfanylpent-2-ene
SMILESC#C.C/C=C(\SC)C(C)C(F)(F)F
InChIInChI=1S/C7H11F3S.C2H2/c1-4-6(11-3)5(2)7(8,9)10;1-2/h4-5H,1-3H3;1-2H/b6-4-;
InChIKeyIPNONBPPDRSHCL-YHSAGPEESA-N
XLogP3.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of acetylene;(Z)-5,5,5-trifluoro-4-methyl-3-methylsulfanylpent-2-ene?
The IUPAC name of acetylene;(Z)-5,5,5-trifluoro-4-methyl-3-methylsulfanylpent-2-ene (CID 142856829) is acetylene;(Z)-5,5,5-trifluoro-4-methyl-3-methylsulfanylpent-2-ene.
What is the SMILES notation for acetylene;(Z)-5,5,5-trifluoro-4-methyl-3-methylsulfanylpent-2-ene?
The canonical SMILES for acetylene;(Z)-5,5,5-trifluoro-4-methyl-3-methylsulfanylpent-2-ene is C#C.C/C=C(\SC)C(C)C(F)(F)F.
What is the InChIKey of acetylene;(Z)-5,5,5-trifluoro-4-methyl-3-methylsulfanylpent-2-ene?
The InChIKey is IPNONBPPDRSHCL-YHSAGPEESA-N. The full InChI is InChI=1S/C7H11F3S.C2H2/c1-4-6(11-3)5(2)7(8,9)10;1-2/h4-5H,1-3H3;1-2H/b6-4-;.
What are the key properties of acetylene;(Z)-5,5,5-trifluoro-4-methyl-3-methylsulfanylpent-2-ene?
acetylene;(Z)-5,5,5-trifluoro-4-methyl-3-methylsulfanylpent-2-ene has a molecular weight of 210.26 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;(Z)-5,5,5-trifluoro-4-methyl-3-methylsulfanylpent-2-ene is sourced from PubChem (CID 142856829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).