7,7-difluoro-6-methylidene-5-methylsulfanylocta-1,4-diene

C10H14F2S — CID 123169330

IUPAC7,7-difluoro-6-methylidene-5-methylsulfanylocta-1,4-diene
SMILESC=CCC=C(SC)C(=C)C(C)(F)F
InChIInChI=1S/C10H14F2S/c1-5-6-7-9(13-4)8(2)10(3,11)12/h5,7H,1-2,6H2,3-4H3
InChIKeyRYXOINFDAFLLDV-UHFFFAOYSA-N
MW204.28 g/mol
LogP4.02
Rot. Bonds5

About 7,7-difluoro-6-methylidene-5-methylsulfanylocta-1,4-diene

7,7-difluoro-6-methylidene-5-methylsulfanylocta-1,4-diene (PubChem CID 123169330) has the molecular formula C10H14F2S and a molecular weight of 204.28 g/mol. Its IUPAC name is 7,7-difluoro-6-methylidene-5-methylsulfanylocta-1,4-diene.

Molecular Properties

Compound Name7,7-difluoro-6-methylidene-5-methylsulfanylocta-1,4-diene
PubChem CID123169330
Molecular FormulaC10H14F2S
Molecular Weight204.28 g/mol
Exact Mass204.08
IUPAC Name7,7-difluoro-6-methylidene-5-methylsulfanylocta-1,4-diene
SMILESC=CCC=C(SC)C(=C)C(C)(F)F
InChIInChI=1S/C10H14F2S/c1-5-6-7-9(13-4)8(2)10(3,11)12/h5,7H,1-2,6H2,3-4H3
InChIKeyRYXOINFDAFLLDV-UHFFFAOYSA-N
XLogP4.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.28
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Dilithium;1-methanidylsulfanyl-2-(trifluoromethyl)benzene-3-ide
CID 134857860
1-Methylsulfanyl-4-(trifluoromethyl)cyclohexa-1,3-diene
CID 20080613
6-butyl-4-(trifluoromethyl)-2H-thiopyran
CID 22712813
2-Propan-2-yl-5-(trifluoromethylsulfanyl)cyclohexa-1,3-diene
CID 69090788
5-Methyl-2-(trifluoromethylsulfanyl)cyclohexa-1,3-diene
CID 88986577
1-(Fluoromethylsulfanyl)-6-methylcyclohexa-1,3-diene
CID 123280775
6-(2-Methylbut-1-enylsulfanyl)-5-methylidene-3-(trifluoromethyl)hepta-1,3,6-triene
CID 123359278
3,5-dimethyl-2-[4-(trifluoromethyl)hexa-1,3,5-trien-2-yl]-4H-thiopyran
CID 123796387
2-Ethylidene-3-methylidene-5-(2,2,2-trifluoroethyl)thiophene
CID 123823833
2,6-Difluoro-1-methylsulfanylcyclohexa-1,3-diene
CID 123824784
6-Fluoro-5-methyl-5-methylsulfanylcyclohexa-1,3-diene
CID 123972244
(3Z,6Z,8Z,9Z)-4-[(E)-3-fluoro-1-methylsulfanylprop-1-enyl]-6,7-dimethyl-8-prop-2-enylidenedodeca-1,3,6,9,11-pentaene
CID 126516765

Frequently Asked Questions

What is the IUPAC name of 7,7-difluoro-6-methylidene-5-methylsulfanylocta-1,4-diene?
The IUPAC name of 7,7-difluoro-6-methylidene-5-methylsulfanylocta-1,4-diene (CID 123169330) is 7,7-difluoro-6-methylidene-5-methylsulfanylocta-1,4-diene.
What is the SMILES notation for 7,7-difluoro-6-methylidene-5-methylsulfanylocta-1,4-diene?
The canonical SMILES for 7,7-difluoro-6-methylidene-5-methylsulfanylocta-1,4-diene is C=CCC=C(SC)C(=C)C(C)(F)F.
What is the InChIKey of 7,7-difluoro-6-methylidene-5-methylsulfanylocta-1,4-diene?
The InChIKey is RYXOINFDAFLLDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2S/c1-5-6-7-9(13-4)8(2)10(3,11)12/h5,7H,1-2,6H2,3-4H3.
What are the key properties of 7,7-difluoro-6-methylidene-5-methylsulfanylocta-1,4-diene?
7,7-difluoro-6-methylidene-5-methylsulfanylocta-1,4-diene has a molecular weight of 204.28 g/mol, XLogP of 4.02, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-difluoro-6-methylidene-5-methylsulfanylocta-1,4-diene is sourced from PubChem (CID 123169330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).