(2Z,4Z)-3-fluorohepta-2,4-diene-2-thiol

C7H11FS — CID 170060762

IUPAC(2Z,4Z)-3-fluorohepta-2,4-diene-2-thiol
SMILESCC/C=C\C(F)=C(/C)S
InChIInChI=1S/C7H11FS/c1-3-4-5-7(8)6(2)9/h4-5,9H,3H2,1-2H3/b5-4-,7-6-
InChIKeyVUIUVBDXZGRDJE-RZSVFLSASA-N
MW146.23 g/mol
LogP3.08
Rot. Bonds2

About (2Z,4Z)-3-fluorohepta-2,4-diene-2-thiol

(2Z,4Z)-3-fluorohepta-2,4-diene-2-thiol (PubChem CID 170060762) has the molecular formula C7H11FS and a molecular weight of 146.23 g/mol. Its IUPAC name is (2Z,4Z)-3-fluorohepta-2,4-diene-2-thiol.

Molecular Properties

Compound Name(2Z,4Z)-3-fluorohepta-2,4-diene-2-thiol
PubChem CID170060762
Molecular FormulaC7H11FS
Molecular Weight146.23 g/mol
Exact Mass146.06
IUPAC Name(2Z,4Z)-3-fluorohepta-2,4-diene-2-thiol
SMILESCC/C=C\C(F)=C(/C)S
InChIInChI=1S/C7H11FS/c1-3-4-5-7(8)6(2)9/h4-5,9H,3H2,1-2H3/b5-4-,7-6-
InChIKeyVUIUVBDXZGRDJE-RZSVFLSASA-N
XLogP3.08
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-3-fluorohepta-2,4-diene-2-thiol?
The IUPAC name of (2Z,4Z)-3-fluorohepta-2,4-diene-2-thiol (CID 170060762) is (2Z,4Z)-3-fluorohepta-2,4-diene-2-thiol.
What is the SMILES notation for (2Z,4Z)-3-fluorohepta-2,4-diene-2-thiol?
The canonical SMILES for (2Z,4Z)-3-fluorohepta-2,4-diene-2-thiol is CC/C=C\C(F)=C(/C)S.
What is the InChIKey of (2Z,4Z)-3-fluorohepta-2,4-diene-2-thiol?
The InChIKey is VUIUVBDXZGRDJE-RZSVFLSASA-N. The full InChI is InChI=1S/C7H11FS/c1-3-4-5-7(8)6(2)9/h4-5,9H,3H2,1-2H3/b5-4-,7-6-.
What are the key properties of (2Z,4Z)-3-fluorohepta-2,4-diene-2-thiol?
(2Z,4Z)-3-fluorohepta-2,4-diene-2-thiol has a molecular weight of 146.23 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-3-fluorohepta-2,4-diene-2-thiol is sourced from PubChem (CID 170060762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).