5,5-difluoropent-4-ene-1-thiol

C5H8F2S — CID 10197730

IUPAC5,5-difluoropent-4-ene-1-thiol
SMILESFC(F)=CCCCS
InChIInChI=1S/C5H8F2S/c6-5(7)3-1-2-4-8/h3,8H,1-2,4H2
InChIKeyUVLJJATVBTXBGU-UHFFFAOYSA-N
MW138.18 g/mol
LogP2.48
Rot. Bonds3

About 5,5-difluoropent-4-ene-1-thiol

5,5-difluoropent-4-ene-1-thiol (PubChem CID 10197730) has the molecular formula C5H8F2S and a molecular weight of 138.18 g/mol. Its IUPAC name is 5,5-difluoropent-4-ene-1-thiol.

Molecular Properties

Compound Name5,5-difluoropent-4-ene-1-thiol
PubChem CID10197730
Molecular FormulaC5H8F2S
Molecular Weight138.18 g/mol
Exact Mass138.03
IUPAC Name5,5-difluoropent-4-ene-1-thiol
SMILESFC(F)=CCCCS
InChIInChI=1S/C5H8F2S/c6-5(7)3-1-2-4-8/h3,8H,1-2,4H2
InChIKeyUVLJJATVBTXBGU-UHFFFAOYSA-N
XLogP2.48
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.18
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,5-difluoropent-4-ene-1-thiol?
The IUPAC name of 5,5-difluoropent-4-ene-1-thiol (CID 10197730) is 5,5-difluoropent-4-ene-1-thiol.
What is the SMILES notation for 5,5-difluoropent-4-ene-1-thiol?
The canonical SMILES for 5,5-difluoropent-4-ene-1-thiol is FC(F)=CCCCS.
What is the InChIKey of 5,5-difluoropent-4-ene-1-thiol?
The InChIKey is UVLJJATVBTXBGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F2S/c6-5(7)3-1-2-4-8/h3,8H,1-2,4H2.
What are the key properties of 5,5-difluoropent-4-ene-1-thiol?
5,5-difluoropent-4-ene-1-thiol has a molecular weight of 138.18 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-difluoropent-4-ene-1-thiol is sourced from PubChem (CID 10197730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).