(4-ethenylcyclohexa-2,4-dien-1-ylidene)methyl-tetrafluoro-(trifluoromethyl)-λ6-sulfane

C10H9F7S — CID 175101259

IUPAC(4-ethenylcyclohexa-2,4-dien-1-ylidene)methyl-tetrafluoro-(trifluoromethyl)-λ6-sulfane
SMILESC=CC1=CCC(=CS(F)(F)(F)(F)C(F)(F)F)C=C1
InChIInChI=1S/C10H9F7S/c1-2-8-3-5-9(6-4-8)7-18(14,15,16,17)10(11,12)13/h2-5,7H,1,6H2
InChIKeyQGCZIGXSYJNQPB-UHFFFAOYSA-N
MW294.24 g/mol
LogP5.88
Rot. Bonds2

About (4-ethenylcyclohexa-2,4-dien-1-ylidene)methyl-tetrafluoro-(trifluoromethyl)-λ6-sulfane

(4-ethenylcyclohexa-2,4-dien-1-ylidene)methyl-tetrafluoro-(trifluoromethyl)-λ6-sulfane (PubChem CID 175101259) has the molecular formula C10H9F7S and a molecular weight of 294.24 g/mol. Its IUPAC name is (4-ethenylcyclohexa-2,4-dien-1-ylidene)methyl-tetrafluoro-(trifluoromethyl)-λ6-sulfane.

Molecular Properties

Compound Name(4-ethenylcyclohexa-2,4-dien-1-ylidene)methyl-tetrafluoro-(trifluoromethyl)-λ6-sulfane
PubChem CID175101259
Molecular FormulaC10H9F7S
Molecular Weight294.24 g/mol
Exact Mass294.03
IUPAC Name(4-ethenylcyclohexa-2,4-dien-1-ylidene)methyl-tetrafluoro-(trifluoromethyl)-λ6-sulfane
SMILESC=CC1=CCC(=CS(F)(F)(F)(F)C(F)(F)F)C=C1
InChIInChI=1S/C10H9F7S/c1-2-8-3-5-9(6-4-8)7-18(14,15,16,17)10(11,12)13/h2-5,7H,1,6H2
InChIKeyQGCZIGXSYJNQPB-UHFFFAOYSA-N
XLogP5.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.24
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (4-ethenylcyclohexa-2,4-dien-1-ylidene)methyl-tetrafluoro-(trifluoromethyl)-λ6-sulfane?
The IUPAC name of (4-ethenylcyclohexa-2,4-dien-1-ylidene)methyl-tetrafluoro-(trifluoromethyl)-λ6-sulfane (CID 175101259) is (4-ethenylcyclohexa-2,4-dien-1-ylidene)methyl-tetrafluoro-(trifluoromethyl)-λ6-sulfane.
What is the SMILES notation for (4-ethenylcyclohexa-2,4-dien-1-ylidene)methyl-tetrafluoro-(trifluoromethyl)-λ6-sulfane?
The canonical SMILES for (4-ethenylcyclohexa-2,4-dien-1-ylidene)methyl-tetrafluoro-(trifluoromethyl)-λ6-sulfane is C=CC1=CCC(=CS(F)(F)(F)(F)C(F)(F)F)C=C1.
What is the InChIKey of (4-ethenylcyclohexa-2,4-dien-1-ylidene)methyl-tetrafluoro-(trifluoromethyl)-λ6-sulfane?
The InChIKey is QGCZIGXSYJNQPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F7S/c1-2-8-3-5-9(6-4-8)7-18(14,15,16,17)10(11,12)13/h2-5,7H,1,6H2.
What are the key properties of (4-ethenylcyclohexa-2,4-dien-1-ylidene)methyl-tetrafluoro-(trifluoromethyl)-λ6-sulfane?
(4-ethenylcyclohexa-2,4-dien-1-ylidene)methyl-tetrafluoro-(trifluoromethyl)-λ6-sulfane has a molecular weight of 294.24 g/mol, XLogP of 5.88, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethenylcyclohexa-2,4-dien-1-ylidene)methyl-tetrafluoro-(trifluoromethyl)-λ6-sulfane is sourced from PubChem (CID 175101259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).