S-phenyl (Z)-2-fluoro-3-methoxyprop-2-enethioate

C10H9FO2S — CID 15324378

IUPACS-phenyl (Z)-2-fluoro-3-methoxyprop-2-enethioate
SMILESCO/C=C(\F)C(=O)Sc1ccccc1
InChIInChI=1S/C10H9FO2S/c1-13-7-9(11)10(12)14-8-5-3-2-4-6-8/h2-7H,1H3/b9-7-
InChIKeyGOAYAVHXZMXHLR-CLFYSBASSA-N
MW212.24 g/mol
LogP2.76
Rot. Bonds3

About S-phenyl (Z)-2-fluoro-3-methoxyprop-2-enethioate

S-phenyl (Z)-2-fluoro-3-methoxyprop-2-enethioate (PubChem CID 15324378) has the molecular formula C10H9FO2S and a molecular weight of 212.24 g/mol. Its IUPAC name is S-phenyl (Z)-2-fluoro-3-methoxyprop-2-enethioate.

Molecular Properties

Compound NameS-phenyl (Z)-2-fluoro-3-methoxyprop-2-enethioate
PubChem CID15324378
Molecular FormulaC10H9FO2S
Molecular Weight212.24 g/mol
Exact Mass212.03
IUPAC NameS-phenyl (Z)-2-fluoro-3-methoxyprop-2-enethioate
SMILESCO/C=C(\F)C(=O)Sc1ccccc1
InChIInChI=1S/C10H9FO2S/c1-13-7-9(11)10(12)14-8-5-3-2-4-6-8/h2-7H,1H3/b9-7-
InChIKeyGOAYAVHXZMXHLR-CLFYSBASSA-N
XLogP2.76
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of S-phenyl (Z)-2-fluoro-3-methoxyprop-2-enethioate?
The IUPAC name of S-phenyl (Z)-2-fluoro-3-methoxyprop-2-enethioate (CID 15324378) is S-phenyl (Z)-2-fluoro-3-methoxyprop-2-enethioate.
What is the SMILES notation for S-phenyl (Z)-2-fluoro-3-methoxyprop-2-enethioate?
The canonical SMILES for S-phenyl (Z)-2-fluoro-3-methoxyprop-2-enethioate is CO/C=C(\F)C(=O)Sc1ccccc1.
What is the InChIKey of S-phenyl (Z)-2-fluoro-3-methoxyprop-2-enethioate?
The InChIKey is GOAYAVHXZMXHLR-CLFYSBASSA-N. The full InChI is InChI=1S/C10H9FO2S/c1-13-7-9(11)10(12)14-8-5-3-2-4-6-8/h2-7H,1H3/b9-7-.
What are the key properties of S-phenyl (Z)-2-fluoro-3-methoxyprop-2-enethioate?
S-phenyl (Z)-2-fluoro-3-methoxyprop-2-enethioate has a molecular weight of 212.24 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for S-phenyl (Z)-2-fluoro-3-methoxyprop-2-enethioate is sourced from PubChem (CID 15324378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).