(5Z,7Z,9R)-10,11-difluoro-4-methylidene-3-thiabicyclo[7.1.1]undeca-1(10),5,7-triene

C11H10F2S — CID 155419940

IUPAC(5Z,7Z,9R)-10,11-difluoro-4-methylidene-3-thiabicyclo[7.1.1]undeca-1(10),5,7-triene
SMILESC=C1/C=C\C=C/[C@H]2C(F)=C(CS1)C2F
InChIInChI=1S/C11H10F2S/c1-7-4-2-3-5-8-10(12)9(6-14-7)11(8)13/h2-5,8,10H,1,6H2/b4-2-,5-3-/t8-,10?/m1/s1
InChIKeyJOQNJUQNHBOUMC-KANDTBKTSA-N
MW212.26 g/mol
LogP3.55
Rot. Bonds

About (5Z,7Z,9R)-10,11-difluoro-4-methylidene-3-thiabicyclo[7.1.1]undeca-1(10),5,7-triene

(5Z,7Z,9R)-10,11-difluoro-4-methylidene-3-thiabicyclo[7.1.1]undeca-1(10),5,7-triene (PubChem CID 155419940) has the molecular formula C11H10F2S and a molecular weight of 212.26 g/mol. Its IUPAC name is (5Z,7Z,9R)-10,11-difluoro-4-methylidene-3-thiabicyclo[7.1.1]undeca-1(10),5,7-triene.

Molecular Properties

Compound Name(5Z,7Z,9R)-10,11-difluoro-4-methylidene-3-thiabicyclo[7.1.1]undeca-1(10),5,7-triene
PubChem CID155419940
Molecular FormulaC11H10F2S
Molecular Weight212.26 g/mol
Exact Mass212.05
IUPAC Name(5Z,7Z,9R)-10,11-difluoro-4-methylidene-3-thiabicyclo[7.1.1]undeca-1(10),5,7-triene
SMILESC=C1/C=C\C=C/[C@H]2C(F)=C(CS1)C2F
InChIInChI=1S/C11H10F2S/c1-7-4-2-3-5-8-10(12)9(6-14-7)11(8)13/h2-5,8,10H,1,6H2/b4-2-,5-3-/t8-,10?/m1/s1
InChIKeyJOQNJUQNHBOUMC-KANDTBKTSA-N
XLogP3.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.26
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (5Z,7Z,9R)-10,11-difluoro-4-methylidene-3-thiabicyclo[7.1.1]undeca-1(10),5,7-triene with MolForge

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Related Compounds

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CID 89247481
3-[3-fluoro-5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-2H-thiete
CID 89791542
5-Methyl-6-methylsulfanyl-1-(trifluoromethyl)cyclohexa-1,3-diene
CID 173055862
1-(Difluoromethyl)-5-methyl-6-methylsulfanylcyclohexa-1,3-diene
CID 173055907
4-ethenyl-3-[(2R,3S)-3-fluorobutan-2-yl]-2-methyl-2H-thiete
CID 173888634
5-(Butan-2-ylsulfanylmethyl)-2,4-difluoro-1-methylcyclohepta-1,3-diene
CID 143606070

Frequently Asked Questions

What is the IUPAC name of (5Z,7Z,9R)-10,11-difluoro-4-methylidene-3-thiabicyclo[7.1.1]undeca-1(10),5,7-triene?
The IUPAC name of (5Z,7Z,9R)-10,11-difluoro-4-methylidene-3-thiabicyclo[7.1.1]undeca-1(10),5,7-triene (CID 155419940) is (5Z,7Z,9R)-10,11-difluoro-4-methylidene-3-thiabicyclo[7.1.1]undeca-1(10),5,7-triene.
What is the SMILES notation for (5Z,7Z,9R)-10,11-difluoro-4-methylidene-3-thiabicyclo[7.1.1]undeca-1(10),5,7-triene?
The canonical SMILES for (5Z,7Z,9R)-10,11-difluoro-4-methylidene-3-thiabicyclo[7.1.1]undeca-1(10),5,7-triene is C=C1/C=C\C=C/[C@H]2C(F)=C(CS1)C2F.
What is the InChIKey of (5Z,7Z,9R)-10,11-difluoro-4-methylidene-3-thiabicyclo[7.1.1]undeca-1(10),5,7-triene?
The InChIKey is JOQNJUQNHBOUMC-KANDTBKTSA-N. The full InChI is InChI=1S/C11H10F2S/c1-7-4-2-3-5-8-10(12)9(6-14-7)11(8)13/h2-5,8,10H,1,6H2/b4-2-,5-3-/t8-,10?/m1/s1.
What are the key properties of (5Z,7Z,9R)-10,11-difluoro-4-methylidene-3-thiabicyclo[7.1.1]undeca-1(10),5,7-triene?
(5Z,7Z,9R)-10,11-difluoro-4-methylidene-3-thiabicyclo[7.1.1]undeca-1(10),5,7-triene has a molecular weight of 212.26 g/mol, XLogP of 3.55, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,7Z,9R)-10,11-difluoro-4-methylidene-3-thiabicyclo[7.1.1]undeca-1(10),5,7-triene is sourced from PubChem (CID 155419940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).