1-ethyl-2,3,5,6-tetrafluoro-4-(methylsulfanylmethyl)cyclohexa-1,3-diene

C10H12F4S — CID 71165200

IUPAC1-ethyl-2,3,5,6-tetrafluoro-4-(methylsulfanylmethyl)cyclohexa-1,3-diene
SMILESCCC1=C(F)C(F)=C(CSC)C(F)C1F
InChIInChI=1S/C10H12F4S/c1-3-5-7(11)9(13)6(4-15-2)10(14)8(5)12/h7,9H,3-4H2,1-2H3
InChIKeyKUZRKILWTJOGIN-UHFFFAOYSA-N
MW240.26 g/mol
LogP3.90
Rot. Bonds3

About 1-ethyl-2,3,5,6-tetrafluoro-4-(methylsulfanylmethyl)cyclohexa-1,3-diene

1-ethyl-2,3,5,6-tetrafluoro-4-(methylsulfanylmethyl)cyclohexa-1,3-diene (PubChem CID 71165200) has the molecular formula C10H12F4S and a molecular weight of 240.26 g/mol. Its IUPAC name is 1-ethyl-2,3,5,6-tetrafluoro-4-(methylsulfanylmethyl)cyclohexa-1,3-diene.

Molecular Properties

Compound Name1-ethyl-2,3,5,6-tetrafluoro-4-(methylsulfanylmethyl)cyclohexa-1,3-diene
PubChem CID71165200
Molecular FormulaC10H12F4S
Molecular Weight240.26 g/mol
Exact Mass240.06
IUPAC Name1-ethyl-2,3,5,6-tetrafluoro-4-(methylsulfanylmethyl)cyclohexa-1,3-diene
SMILESCCC1=C(F)C(F)=C(CSC)C(F)C1F
InChIInChI=1S/C10H12F4S/c1-3-5-7(11)9(13)6(4-15-2)10(14)8(5)12/h7,9H,3-4H2,1-2H3
InChIKeyKUZRKILWTJOGIN-UHFFFAOYSA-N
XLogP3.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2,3,5,6-tetrafluoro-4-(methylsulfanylmethyl)cyclohexa-1,3-diene?
The IUPAC name of 1-ethyl-2,3,5,6-tetrafluoro-4-(methylsulfanylmethyl)cyclohexa-1,3-diene (CID 71165200) is 1-ethyl-2,3,5,6-tetrafluoro-4-(methylsulfanylmethyl)cyclohexa-1,3-diene.
What is the SMILES notation for 1-ethyl-2,3,5,6-tetrafluoro-4-(methylsulfanylmethyl)cyclohexa-1,3-diene?
The canonical SMILES for 1-ethyl-2,3,5,6-tetrafluoro-4-(methylsulfanylmethyl)cyclohexa-1,3-diene is CCC1=C(F)C(F)=C(CSC)C(F)C1F.
What is the InChIKey of 1-ethyl-2,3,5,6-tetrafluoro-4-(methylsulfanylmethyl)cyclohexa-1,3-diene?
The InChIKey is KUZRKILWTJOGIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F4S/c1-3-5-7(11)9(13)6(4-15-2)10(14)8(5)12/h7,9H,3-4H2,1-2H3.
What are the key properties of 1-ethyl-2,3,5,6-tetrafluoro-4-(methylsulfanylmethyl)cyclohexa-1,3-diene?
1-ethyl-2,3,5,6-tetrafluoro-4-(methylsulfanylmethyl)cyclohexa-1,3-diene has a molecular weight of 240.26 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2,3,5,6-tetrafluoro-4-(methylsulfanylmethyl)cyclohexa-1,3-diene is sourced from PubChem (CID 71165200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).