(3Z)-5-methylidene-7-methylsulfanyl-2-(trifluoromethyl)hepta-1,3-diene

C10H13F3S — CID 144530557

IUPAC(3Z)-5-methylidene-7-methylsulfanyl-2-(trifluoromethyl)hepta-1,3-diene
SMILESC=C(/C=C\C(=C)C(F)(F)F)CCSC
InChIInChI=1S/C10H13F3S/c1-8(6-7-14-3)4-5-9(2)10(11,12)13/h4-5H,1-2,6-7H2,3H3/b5-4-
InChIKeyBJQODEUSSZXETK-PLNGDYQASA-N
MW222.27 g/mol
LogP3.97
Rot. Bonds5

About (3Z)-5-methylidene-7-methylsulfanyl-2-(trifluoromethyl)hepta-1,3-diene

(3Z)-5-methylidene-7-methylsulfanyl-2-(trifluoromethyl)hepta-1,3-diene (PubChem CID 144530557) has the molecular formula C10H13F3S and a molecular weight of 222.27 g/mol. Its IUPAC name is (3Z)-5-methylidene-7-methylsulfanyl-2-(trifluoromethyl)hepta-1,3-diene.

Molecular Properties

Compound Name(3Z)-5-methylidene-7-methylsulfanyl-2-(trifluoromethyl)hepta-1,3-diene
PubChem CID144530557
Molecular FormulaC10H13F3S
Molecular Weight222.27 g/mol
Exact Mass222.07
IUPAC Name(3Z)-5-methylidene-7-methylsulfanyl-2-(trifluoromethyl)hepta-1,3-diene
SMILESC=C(/C=C\C(=C)C(F)(F)F)CCSC
InChIInChI=1S/C10H13F3S/c1-8(6-7-14-3)4-5-9(2)10(11,12)13/h4-5H,1-2,6-7H2,3H3/b5-4-
InChIKeyBJQODEUSSZXETK-PLNGDYQASA-N
XLogP3.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2E)-3,7-dimethyl-1-(trifluoromethylsulfanyl)octa-2,6-diene
CID 125476027
(E)-1-ethylsulfanyl-5,5,6,6,7,7,7-heptafluorohept-3-ene
CID 134896906
5-[2-(Trifluoromethylsulfanyl)ethylidene]cyclopenta-1,3-diene
CID 166441103
1-Methylsulfanyl-4-(trifluoromethyl)cyclohexa-1,3-diene
CID 20080613
6-butyl-4-(trifluoromethyl)-2H-thiopyran
CID 22712813
4-Butyl-1-(trifluoromethyl)thiopyran
CID 57052384
2-Propan-2-yl-5-(trifluoromethylsulfanyl)cyclohexa-1,3-diene
CID 69090788
7-Fluoro-7-methyl-2-(propan-2-ylsulfanylmethyl)cyclohepta-1,3,5-triene
CID 70967274
(E)-4,4,5,5,6,6,6-heptafluoro-3-methyl-1-methylsulfanylhex-2-ene
CID 87187712
6-fluoro-3-methyl-5-methylidene-6H-1-benzothiophene
CID 89233565
4,4,5,5,5-Pentafluoro-3-methyl-1-propylsulfanylpent-2-ene
CID 90974987
4,4,5,5,6,6,6-Heptafluoro-3-methyl-1-methylsulfanylhex-2-ene
CID 91261636

Frequently Asked Questions

What is the IUPAC name of (3Z)-5-methylidene-7-methylsulfanyl-2-(trifluoromethyl)hepta-1,3-diene?
The IUPAC name of (3Z)-5-methylidene-7-methylsulfanyl-2-(trifluoromethyl)hepta-1,3-diene (CID 144530557) is (3Z)-5-methylidene-7-methylsulfanyl-2-(trifluoromethyl)hepta-1,3-diene.
What is the SMILES notation for (3Z)-5-methylidene-7-methylsulfanyl-2-(trifluoromethyl)hepta-1,3-diene?
The canonical SMILES for (3Z)-5-methylidene-7-methylsulfanyl-2-(trifluoromethyl)hepta-1,3-diene is C=C(/C=C\C(=C)C(F)(F)F)CCSC.
What is the InChIKey of (3Z)-5-methylidene-7-methylsulfanyl-2-(trifluoromethyl)hepta-1,3-diene?
The InChIKey is BJQODEUSSZXETK-PLNGDYQASA-N. The full InChI is InChI=1S/C10H13F3S/c1-8(6-7-14-3)4-5-9(2)10(11,12)13/h4-5H,1-2,6-7H2,3H3/b5-4-.
What are the key properties of (3Z)-5-methylidene-7-methylsulfanyl-2-(trifluoromethyl)hepta-1,3-diene?
(3Z)-5-methylidene-7-methylsulfanyl-2-(trifluoromethyl)hepta-1,3-diene has a molecular weight of 222.27 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-methylidene-7-methylsulfanyl-2-(trifluoromethyl)hepta-1,3-diene is sourced from PubChem (CID 144530557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).