(2Z,4E)-3,5-difluorohepta-2,4-diene-2-thiol

C7H10F2S — CID 142087634

IUPAC(2Z,4E)-3,5-difluorohepta-2,4-diene-2-thiol
SMILESCC/C(F)=C\C(F)=C(/C)S
InChIInChI=1S/C7H10F2S/c1-3-6(8)4-7(9)5(2)10/h4,10H,3H2,1-2H3/b6-4+,7-5-
InChIKeyXCRXXSOTZFTNAB-GUBXDBFYSA-N
MW164.22 g/mol
LogP3.38
Rot. Bonds2

About (2Z,4E)-3,5-difluorohepta-2,4-diene-2-thiol

(2Z,4E)-3,5-difluorohepta-2,4-diene-2-thiol (PubChem CID 142087634) has the molecular formula C7H10F2S and a molecular weight of 164.22 g/mol. Its IUPAC name is (2Z,4E)-3,5-difluorohepta-2,4-diene-2-thiol.

Molecular Properties

Compound Name(2Z,4E)-3,5-difluorohepta-2,4-diene-2-thiol
PubChem CID142087634
Molecular FormulaC7H10F2S
Molecular Weight164.22 g/mol
Exact Mass164.05
IUPAC Name(2Z,4E)-3,5-difluorohepta-2,4-diene-2-thiol
SMILESCC/C(F)=C\C(F)=C(/C)S
InChIInChI=1S/C7H10F2S/c1-3-6(8)4-7(9)5(2)10/h4,10H,3H2,1-2H3/b6-4+,7-5-
InChIKeyXCRXXSOTZFTNAB-GUBXDBFYSA-N
XLogP3.38
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.22
LogP ≤ 53.38
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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Related Compounds

4,6-Difluorohepta-1,2,4-triene
CID 57025051
(2E,4E)-2,4-difluorohepta-2,4-diene
CID 88932159
(3E)-2,4-difluorohexa-1,3-diene
CID 89270456
(2E,4E)-3,5-difluorohexa-2,4-diene-2-thiol
CID 89861514
(2Z,4Z)-4,5-difluorohexa-2,4-diene-2-thiol
CID 89876796
2,5-Difluorohepta-2,4-diene
CID 123571329
2,4-Difluorohexa-1,3-diene
CID 140681783
(2Z,4E)-4-fluoro-3-methylhexa-2,4-diene-2-thiol
CID 141844499
(2E,4E)-3,5-difluorohepta-2,4-diene
CID 142421363
(2Z,4Z)-3,5-difluorohepta-2,4-diene
CID 155414583
3,5-Difluorohepta-2,4-diene
CID 155745111
chloro-[(3E,5E)-6-fluorohexa-3,5-dien-3-yl]sulfanium
CID 163740480

Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-3,5-difluorohepta-2,4-diene-2-thiol?
The IUPAC name of (2Z,4E)-3,5-difluorohepta-2,4-diene-2-thiol (CID 142087634) is (2Z,4E)-3,5-difluorohepta-2,4-diene-2-thiol.
What is the SMILES notation for (2Z,4E)-3,5-difluorohepta-2,4-diene-2-thiol?
The canonical SMILES for (2Z,4E)-3,5-difluorohepta-2,4-diene-2-thiol is CC/C(F)=C\C(F)=C(/C)S.
What is the InChIKey of (2Z,4E)-3,5-difluorohepta-2,4-diene-2-thiol?
The InChIKey is XCRXXSOTZFTNAB-GUBXDBFYSA-N. The full InChI is InChI=1S/C7H10F2S/c1-3-6(8)4-7(9)5(2)10/h4,10H,3H2,1-2H3/b6-4+,7-5-.
What are the key properties of (2Z,4E)-3,5-difluorohepta-2,4-diene-2-thiol?
(2Z,4E)-3,5-difluorohepta-2,4-diene-2-thiol has a molecular weight of 164.22 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-3,5-difluorohepta-2,4-diene-2-thiol is sourced from PubChem (CID 142087634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).