6-fluoro-4-methylocta-1,7-diene-3,5-dithiol

C9H15FS2 — CID 137429114

IUPAC6-fluoro-4-methylocta-1,7-diene-3,5-dithiol
SMILESC=CC(F)C(S)C(C)C(S)C=C
InChIInChI=1S/C9H15FS2/c1-4-7(10)9(12)6(3)8(11)5-2/h4-9,11-12H,1-2H2,3H3
InChIKeyWIWZHRKKHLQRHX-UHFFFAOYSA-N
MW206.35 g/mol
LogP2.93
Rot. Bonds5

About 6-fluoro-4-methylocta-1,7-diene-3,5-dithiol

6-fluoro-4-methylocta-1,7-diene-3,5-dithiol (PubChem CID 137429114) has the molecular formula C9H15FS2 and a molecular weight of 206.35 g/mol. Its IUPAC name is 6-fluoro-4-methylocta-1,7-diene-3,5-dithiol.

Molecular Properties

Compound Name6-fluoro-4-methylocta-1,7-diene-3,5-dithiol
PubChem CID137429114
Molecular FormulaC9H15FS2
Molecular Weight206.35 g/mol
Exact Mass206.06
IUPAC Name6-fluoro-4-methylocta-1,7-diene-3,5-dithiol
SMILESC=CC(F)C(S)C(C)C(S)C=C
InChIInChI=1S/C9H15FS2/c1-4-7(10)9(12)6(3)8(11)5-2/h4-9,11-12H,1-2H2,3H3
InChIKeyWIWZHRKKHLQRHX-UHFFFAOYSA-N
XLogP2.93
TPSA0.00 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.35
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

(3R,4S,6S)-7-fluoro-3,6-dimethylhept-1-ene-4-thiol
CID 89110210
(2R)-1-fluoro-2,3-dimethylhept-6-ene-1-thiol
CID 163638496
4-Fluoro-5,6-dimethylhept-1-ene-4-thiol
CID 167073812
3-Ethenyl-5-fluoro-2,5-dimethylhexane-2-thiol
CID 167187393
2-Butyl-4-pentenethiol
CID 129783071
3,4-Bis(ethenyl)hexane-2,5-dithiol
CID 20581910
2-Pent-4-enylpropane-1,3-dithiol
CID 88533529
2-Ethenylhexane-1-thiol
CID 89278235
5-Methyl-1-(5-methylhept-1-enyldisulfanyl)hept-1-ene
CID 90866034
5-Methylhept-6-ene-1-thiol
CID 91291129
4-Propan-2-ylhex-5-ene-2-thiol
CID 91489035
(Z)-3-ethylhept-1-ene-1-thiol
CID 122663477

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4-methylocta-1,7-diene-3,5-dithiol?
The IUPAC name of 6-fluoro-4-methylocta-1,7-diene-3,5-dithiol (CID 137429114) is 6-fluoro-4-methylocta-1,7-diene-3,5-dithiol.
What is the SMILES notation for 6-fluoro-4-methylocta-1,7-diene-3,5-dithiol?
The canonical SMILES for 6-fluoro-4-methylocta-1,7-diene-3,5-dithiol is C=CC(F)C(S)C(C)C(S)C=C.
What is the InChIKey of 6-fluoro-4-methylocta-1,7-diene-3,5-dithiol?
The InChIKey is WIWZHRKKHLQRHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FS2/c1-4-7(10)9(12)6(3)8(11)5-2/h4-9,11-12H,1-2H2,3H3.
What are the key properties of 6-fluoro-4-methylocta-1,7-diene-3,5-dithiol?
6-fluoro-4-methylocta-1,7-diene-3,5-dithiol has a molecular weight of 206.35 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-methylocta-1,7-diene-3,5-dithiol is sourced from PubChem (CID 137429114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).