[(1Z,3Z)-3-propan-2-ylhexa-1,3,5-trienyl] thiohypofluorite

C9H13FS — CID 129146729

IUPAC[(1Z,3Z)-3-propan-2-ylhexa-1,3,5-trienyl] thiohypofluorite
SMILESC=C/C=C(\C=C/SF)C(C)C
InChIInChI=1S/C9H13FS/c1-4-5-9(8(2)3)6-7-11-10/h4-8H,1H2,2-3H3/b7-6-,9-5+
InChIKeyMGZPSNCKJTUIMC-QRLJIZSYSA-N
MW172.27 g/mol
LogP3.89
Rot. Bonds4

About [(1Z,3Z)-3-propan-2-ylhexa-1,3,5-trienyl] thiohypofluorite

[(1Z,3Z)-3-propan-2-ylhexa-1,3,5-trienyl] thiohypofluorite (PubChem CID 129146729) has the molecular formula C9H13FS and a molecular weight of 172.27 g/mol. Its IUPAC name is [(1Z,3Z)-3-propan-2-ylhexa-1,3,5-trienyl] thiohypofluorite.

Molecular Properties

Compound Name[(1Z,3Z)-3-propan-2-ylhexa-1,3,5-trienyl] thiohypofluorite
PubChem CID129146729
Molecular FormulaC9H13FS
Molecular Weight172.27 g/mol
Exact Mass172.07
IUPAC Name[(1Z,3Z)-3-propan-2-ylhexa-1,3,5-trienyl] thiohypofluorite
SMILESC=C/C=C(\C=C/SF)C(C)C
InChIInChI=1S/C9H13FS/c1-4-5-9(8(2)3)6-7-11-10/h4-8H,1H2,2-3H3/b7-6-,9-5+
InChIKeyMGZPSNCKJTUIMC-QRLJIZSYSA-N
XLogP3.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(1Z,3Z)-3-propan-2-ylhexa-1,3,5-trienyl] thiohypofluorite?
The IUPAC name of [(1Z,3Z)-3-propan-2-ylhexa-1,3,5-trienyl] thiohypofluorite (CID 129146729) is [(1Z,3Z)-3-propan-2-ylhexa-1,3,5-trienyl] thiohypofluorite.
What is the SMILES notation for [(1Z,3Z)-3-propan-2-ylhexa-1,3,5-trienyl] thiohypofluorite?
The canonical SMILES for [(1Z,3Z)-3-propan-2-ylhexa-1,3,5-trienyl] thiohypofluorite is C=C/C=C(\C=C/SF)C(C)C.
What is the InChIKey of [(1Z,3Z)-3-propan-2-ylhexa-1,3,5-trienyl] thiohypofluorite?
The InChIKey is MGZPSNCKJTUIMC-QRLJIZSYSA-N. The full InChI is InChI=1S/C9H13FS/c1-4-5-9(8(2)3)6-7-11-10/h4-8H,1H2,2-3H3/b7-6-,9-5+.
What are the key properties of [(1Z,3Z)-3-propan-2-ylhexa-1,3,5-trienyl] thiohypofluorite?
[(1Z,3Z)-3-propan-2-ylhexa-1,3,5-trienyl] thiohypofluorite has a molecular weight of 172.27 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1Z,3Z)-3-propan-2-ylhexa-1,3,5-trienyl] thiohypofluorite is sourced from PubChem (CID 129146729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).