4-(1-fluorobutyldisulfanyl)-2-methylpent-2-ene

C10H19FS2 — CID 87565553

IUPAC4-(1-fluorobutyldisulfanyl)-2-methylpent-2-ene
SMILESCCCC(F)SSC(C)C=C(C)C
InChIInChI=1S/C10H19FS2/c1-5-6-10(11)13-12-9(4)7-8(2)3/h7,9-10H,5-6H2,1-4H3
InChIKeyHDYVBPPGEVXWQK-UHFFFAOYSA-N
MW222.39 g/mol
LogP4.82
Rot. Bonds6

About 4-(1-fluorobutyldisulfanyl)-2-methylpent-2-ene

4-(1-fluorobutyldisulfanyl)-2-methylpent-2-ene (PubChem CID 87565553) has the molecular formula C10H19FS2 and a molecular weight of 222.39 g/mol. Its IUPAC name is 4-(1-fluorobutyldisulfanyl)-2-methylpent-2-ene.

Molecular Properties

Compound Name4-(1-fluorobutyldisulfanyl)-2-methylpent-2-ene
PubChem CID87565553
Molecular FormulaC10H19FS2
Molecular Weight222.39 g/mol
Exact Mass222.09
IUPAC Name4-(1-fluorobutyldisulfanyl)-2-methylpent-2-ene
SMILESCCCC(F)SSC(C)C=C(C)C
InChIInChI=1S/C10H19FS2/c1-5-6-10(11)13-12-9(4)7-8(2)3/h7,9-10H,5-6H2,1-4H3
InChIKeyHDYVBPPGEVXWQK-UHFFFAOYSA-N
XLogP4.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.39
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(1-fluorobutyldisulfanyl)-2-methylpent-2-ene?
The IUPAC name of 4-(1-fluorobutyldisulfanyl)-2-methylpent-2-ene (CID 87565553) is 4-(1-fluorobutyldisulfanyl)-2-methylpent-2-ene.
What is the SMILES notation for 4-(1-fluorobutyldisulfanyl)-2-methylpent-2-ene?
The canonical SMILES for 4-(1-fluorobutyldisulfanyl)-2-methylpent-2-ene is CCCC(F)SSC(C)C=C(C)C.
What is the InChIKey of 4-(1-fluorobutyldisulfanyl)-2-methylpent-2-ene?
The InChIKey is HDYVBPPGEVXWQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19FS2/c1-5-6-10(11)13-12-9(4)7-8(2)3/h7,9-10H,5-6H2,1-4H3.
What are the key properties of 4-(1-fluorobutyldisulfanyl)-2-methylpent-2-ene?
4-(1-fluorobutyldisulfanyl)-2-methylpent-2-ene has a molecular weight of 222.39 g/mol, XLogP of 4.82, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-fluorobutyldisulfanyl)-2-methylpent-2-ene is sourced from PubChem (CID 87565553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).