5-(4,5-difluoro-6-methylidenecyclohexa-2,4-dien-1-yl)sulfanyl-1,2-difluoro-6-methylidenecyclohexa-1,3-diene

C14H10F4S — CID 141168975

IUPAC5-(4,5-difluoro-6-methylidenecyclohexa-2,4-dien-1-yl)sulfanyl-1,2-difluoro-6-methylidenecyclohexa-1,3-diene
SMILESC=C1C(F)=C(F)C=CC1SC1C=CC(F)=C(F)C1=C
InChIInChI=1S/C14H10F4S/c1-7-11(5-3-9(15)13(7)17)19-12-6-4-10(16)14(18)8(12)2/h3-6,11-12H,1-2H2
InChIKeySBJSVLIXPFEVTD-UHFFFAOYSA-N
MW286.29 g/mol
LogP5.01
Rot. Bonds2

About 5-(4,5-difluoro-6-methylidenecyclohexa-2,4-dien-1-yl)sulfanyl-1,2-difluoro-6-methylidenecyclohexa-1,3-diene

5-(4,5-difluoro-6-methylidenecyclohexa-2,4-dien-1-yl)sulfanyl-1,2-difluoro-6-methylidenecyclohexa-1,3-diene (PubChem CID 141168975) has the molecular formula C14H10F4S and a molecular weight of 286.29 g/mol. Its IUPAC name is 5-(4,5-difluoro-6-methylidenecyclohexa-2,4-dien-1-yl)sulfanyl-1,2-difluoro-6-methylidenecyclohexa-1,3-diene.

Molecular Properties

Compound Name5-(4,5-difluoro-6-methylidenecyclohexa-2,4-dien-1-yl)sulfanyl-1,2-difluoro-6-methylidenecyclohexa-1,3-diene
PubChem CID141168975
Molecular FormulaC14H10F4S
Molecular Weight286.29 g/mol
Exact Mass286.04
IUPAC Name5-(4,5-difluoro-6-methylidenecyclohexa-2,4-dien-1-yl)sulfanyl-1,2-difluoro-6-methylidenecyclohexa-1,3-diene
SMILESC=C1C(F)=C(F)C=CC1SC1C=CC(F)=C(F)C1=C
InChIInChI=1S/C14H10F4S/c1-7-11(5-3-9(15)13(7)17)19-12-6-4-10(16)14(18)8(12)2/h3-6,11-12H,1-2H2
InChIKeySBJSVLIXPFEVTD-UHFFFAOYSA-N
XLogP5.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.29
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5-(4,5-difluoro-6-methylidenecyclohexa-2,4-dien-1-yl)sulfanyl-1,2-difluoro-6-methylidenecyclohexa-1,3-diene with MolForge

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Related Compounds

Cyclohexa[b]thiopyran
CID 57195514
6-butyl-4-(trifluoromethyl)-2H-thiopyran
CID 22712813
5-fluoro-6-(trifluoromethyl)-8aH-thiochromene
CID 123171106
3,5-dimethyl-2-[4-(trifluoromethyl)hexa-1,3,5-trien-2-yl]-4H-thiopyran
CID 123796387
5-(Fluoromethyl)-5-[1-(fluoromethyl)cyclohexa-2,4-dien-1-yl]sulfanylcyclohexa-1,3-diene
CID 139914125
1-Ethylsulfanyl-5,5,6-trifluorocyclohexa-1,3-diene
CID 141547691
3-(5-Fluorocyclohexa-1,5-dien-1-yl)thiopyran
CID 142854089
1-(2-Methylbut-3-en-2-ylsulfanyl)-3-(trifluoromethyl)cyclohexa-1,3-diene
CID 143964347
(3Z)-5-methylidene-7-methylsulfanyl-2-(trifluoromethyl)hepta-1,3-diene
CID 144530557
3-(Cyclopropylsulfanylmethyl)-1-fluorocyclohexa-1,3-diene
CID 144552701
6-Methylsulfanyl-1-(trifluoromethyl)cyclohexa-1,3-diene
CID 147622584
5-Cyclohex-2-en-1-ylsulfanyl-1,3-difluorocyclohexa-1,3-diene
CID 156124379

Frequently Asked Questions

What is the IUPAC name of 5-(4,5-difluoro-6-methylidenecyclohexa-2,4-dien-1-yl)sulfanyl-1,2-difluoro-6-methylidenecyclohexa-1,3-diene?
The IUPAC name of 5-(4,5-difluoro-6-methylidenecyclohexa-2,4-dien-1-yl)sulfanyl-1,2-difluoro-6-methylidenecyclohexa-1,3-diene (CID 141168975) is 5-(4,5-difluoro-6-methylidenecyclohexa-2,4-dien-1-yl)sulfanyl-1,2-difluoro-6-methylidenecyclohexa-1,3-diene.
What is the SMILES notation for 5-(4,5-difluoro-6-methylidenecyclohexa-2,4-dien-1-yl)sulfanyl-1,2-difluoro-6-methylidenecyclohexa-1,3-diene?
The canonical SMILES for 5-(4,5-difluoro-6-methylidenecyclohexa-2,4-dien-1-yl)sulfanyl-1,2-difluoro-6-methylidenecyclohexa-1,3-diene is C=C1C(F)=C(F)C=CC1SC1C=CC(F)=C(F)C1=C.
What is the InChIKey of 5-(4,5-difluoro-6-methylidenecyclohexa-2,4-dien-1-yl)sulfanyl-1,2-difluoro-6-methylidenecyclohexa-1,3-diene?
The InChIKey is SBJSVLIXPFEVTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F4S/c1-7-11(5-3-9(15)13(7)17)19-12-6-4-10(16)14(18)8(12)2/h3-6,11-12H,1-2H2.
What are the key properties of 5-(4,5-difluoro-6-methylidenecyclohexa-2,4-dien-1-yl)sulfanyl-1,2-difluoro-6-methylidenecyclohexa-1,3-diene?
5-(4,5-difluoro-6-methylidenecyclohexa-2,4-dien-1-yl)sulfanyl-1,2-difluoro-6-methylidenecyclohexa-1,3-diene has a molecular weight of 286.29 g/mol, XLogP of 5.01, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,5-difluoro-6-methylidenecyclohexa-2,4-dien-1-yl)sulfanyl-1,2-difluoro-6-methylidenecyclohexa-1,3-diene is sourced from PubChem (CID 141168975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).