4-fluoro-2-(prop-1-en-2-ylsulfanylmethyl)but-1-ene

C8H13FS — CID 155395560

IUPAC4-fluoro-2-(prop-1-en-2-ylsulfanylmethyl)but-1-ene
SMILESC=C(CCF)CSC(=C)C
InChIInChI=1S/C8H13FS/c1-7(2)10-6-8(3)4-5-9/h1,3-6H2,2H3
InChIKeyUATHTFUBAZRTGS-UHFFFAOYSA-N
MW160.26 g/mol
LogP3.17
Rot. Bonds5

About 4-fluoro-2-(prop-1-en-2-ylsulfanylmethyl)but-1-ene

4-fluoro-2-(prop-1-en-2-ylsulfanylmethyl)but-1-ene (PubChem CID 155395560) has the molecular formula C8H13FS and a molecular weight of 160.26 g/mol. Its IUPAC name is 4-fluoro-2-(prop-1-en-2-ylsulfanylmethyl)but-1-ene.

Molecular Properties

Compound Name4-fluoro-2-(prop-1-en-2-ylsulfanylmethyl)but-1-ene
PubChem CID155395560
Molecular FormulaC8H13FS
Molecular Weight160.26 g/mol
Exact Mass160.07
IUPAC Name4-fluoro-2-(prop-1-en-2-ylsulfanylmethyl)but-1-ene
SMILESC=C(CCF)CSC(=C)C
InChIInChI=1S/C8H13FS/c1-7(2)10-6-8(3)4-5-9/h1,3-6H2,2H3
InChIKeyUATHTFUBAZRTGS-UHFFFAOYSA-N
XLogP3.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(prop-1-en-2-ylsulfanylmethyl)but-1-ene?
The IUPAC name of 4-fluoro-2-(prop-1-en-2-ylsulfanylmethyl)but-1-ene (CID 155395560) is 4-fluoro-2-(prop-1-en-2-ylsulfanylmethyl)but-1-ene.
What is the SMILES notation for 4-fluoro-2-(prop-1-en-2-ylsulfanylmethyl)but-1-ene?
The canonical SMILES for 4-fluoro-2-(prop-1-en-2-ylsulfanylmethyl)but-1-ene is C=C(CCF)CSC(=C)C.
What is the InChIKey of 4-fluoro-2-(prop-1-en-2-ylsulfanylmethyl)but-1-ene?
The InChIKey is UATHTFUBAZRTGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FS/c1-7(2)10-6-8(3)4-5-9/h1,3-6H2,2H3.
What are the key properties of 4-fluoro-2-(prop-1-en-2-ylsulfanylmethyl)but-1-ene?
4-fluoro-2-(prop-1-en-2-ylsulfanylmethyl)but-1-ene has a molecular weight of 160.26 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(prop-1-en-2-ylsulfanylmethyl)but-1-ene is sourced from PubChem (CID 155395560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).