(Z)-2,4,4,4-tetrafluorobut-2-ene-1-thiol

C4H4F4S — CID 87154730

IUPAC(Z)-2,4,4,4-tetrafluorobut-2-ene-1-thiol
SMILESF/C(=C\C(F)(F)F)CS
InChIInChI=1S/C4H4F4S/c5-3(2-9)1-4(6,7)8/h1,9H,2H2/b3-1-
InChIKeyOJGNOSJASOYUEX-IWQZZHSRSA-N
MW160.14 g/mol
LogP2.33
Rot. Bonds1

About (Z)-2,4,4,4-tetrafluorobut-2-ene-1-thiol

(Z)-2,4,4,4-tetrafluorobut-2-ene-1-thiol (PubChem CID 87154730) has the molecular formula C4H4F4S and a molecular weight of 160.14 g/mol. Its IUPAC name is (Z)-2,4,4,4-tetrafluorobut-2-ene-1-thiol.

Molecular Properties

Compound Name(Z)-2,4,4,4-tetrafluorobut-2-ene-1-thiol
PubChem CID87154730
Molecular FormulaC4H4F4S
Molecular Weight160.14 g/mol
Exact Mass160.00
IUPAC Name(Z)-2,4,4,4-tetrafluorobut-2-ene-1-thiol
SMILESF/C(=C\C(F)(F)F)CS
InChIInChI=1S/C4H4F4S/c5-3(2-9)1-4(6,7)8/h1,9H,2H2/b3-1-
InChIKeyOJGNOSJASOYUEX-IWQZZHSRSA-N
XLogP2.33
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.14
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-2,4,4,4-tetrafluorobut-2-ene-1-thiol?
The IUPAC name of (Z)-2,4,4,4-tetrafluorobut-2-ene-1-thiol (CID 87154730) is (Z)-2,4,4,4-tetrafluorobut-2-ene-1-thiol.
What is the SMILES notation for (Z)-2,4,4,4-tetrafluorobut-2-ene-1-thiol?
The canonical SMILES for (Z)-2,4,4,4-tetrafluorobut-2-ene-1-thiol is F/C(=C\C(F)(F)F)CS.
What is the InChIKey of (Z)-2,4,4,4-tetrafluorobut-2-ene-1-thiol?
The InChIKey is OJGNOSJASOYUEX-IWQZZHSRSA-N. The full InChI is InChI=1S/C4H4F4S/c5-3(2-9)1-4(6,7)8/h1,9H,2H2/b3-1-.
What are the key properties of (Z)-2,4,4,4-tetrafluorobut-2-ene-1-thiol?
(Z)-2,4,4,4-tetrafluorobut-2-ene-1-thiol has a molecular weight of 160.14 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2,4,4,4-tetrafluorobut-2-ene-1-thiol is sourced from PubChem (CID 87154730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).