methyl 3-(5-acetyl-4-fluorothiophen-2-yl)prop-2-enoate

C10H9FO3S — CID 175475264

IUPACmethyl 3-(5-acetyl-4-fluorothiophen-2-yl)prop-2-enoate
SMILESCOC(=O)C=Cc1cc(F)c(C(C)=O)s1
InChIInChI=1S/C10H9FO3S/c1-6(12)10-8(11)5-7(15-10)3-4-9(13)14-2/h3-5H,1-2H3
InChIKeyOUCDBAYJINGXRD-UHFFFAOYSA-N
MW228.24 g/mol
LogP2.28
Rot. Bonds3

About methyl 3-(5-acetyl-4-fluorothiophen-2-yl)prop-2-enoate

methyl 3-(5-acetyl-4-fluorothiophen-2-yl)prop-2-enoate (PubChem CID 175475264) has the molecular formula C10H9FO3S and a molecular weight of 228.24 g/mol. Its IUPAC name is methyl 3-(5-acetyl-4-fluorothiophen-2-yl)prop-2-enoate.

Molecular Properties

Compound Namemethyl 3-(5-acetyl-4-fluorothiophen-2-yl)prop-2-enoate
PubChem CID175475264
Molecular FormulaC10H9FO3S
Molecular Weight228.24 g/mol
Exact Mass228.03
IUPAC Namemethyl 3-(5-acetyl-4-fluorothiophen-2-yl)prop-2-enoate
SMILESCOC(=O)C=Cc1cc(F)c(C(C)=O)s1
InChIInChI=1S/C10H9FO3S/c1-6(12)10-8(11)5-7(15-10)3-4-9(13)14-2/h3-5H,1-2H3
InChIKeyOUCDBAYJINGXRD-UHFFFAOYSA-N
XLogP2.28
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl 3-(4-acetylthiophen-2-yl)prop-2-enoate
CID 175475240
methyl 3-(2,4,5-trifluorophenyl)prop-2-enoate
CID 131865158
methyl (E)-3-(2,4,6-trifluorophenyl)prop-2-enoate
CID 102052525
methyl (E)-3-(2,3,5,6-tetrafluorophenyl)prop-2-enoate
CID 50905551
methyl 3-(2,3,5,6-tetrafluorophenyl)prop-2-enoate
CID 75578261
methyl 3-(4-chloro-3,5-difluorophenyl)prop-2-enoate
CID 169478853
methyl (E)-3-[5-(4-fluorophenyl)thiophen-2-yl]prop-2-enoate
CID 113220269
methyl (E)-3-(5-methoxythiophen-2-yl)prop-2-enoate
CID 68847541
methyl 3-(4-chloro-2,6-difluorophenyl)prop-2-enoate
CID 169479857
methyl (E)-3-(2,5-difluorophenyl)prop-2-enoate
CID 53338930
methyl 3-(4-amino-3-fluorophenyl)prop-2-enoate
CID 169478768
cyclopropane;methyl 3-(5-bromothiophen-2-yl)prop-2-enoate
CID 70627909

Frequently Asked Questions

What is the IUPAC name of methyl 3-(5-acetyl-4-fluorothiophen-2-yl)prop-2-enoate?
The IUPAC name of methyl 3-(5-acetyl-4-fluorothiophen-2-yl)prop-2-enoate (CID 175475264) is methyl 3-(5-acetyl-4-fluorothiophen-2-yl)prop-2-enoate.
What is the SMILES notation for methyl 3-(5-acetyl-4-fluorothiophen-2-yl)prop-2-enoate?
The canonical SMILES for methyl 3-(5-acetyl-4-fluorothiophen-2-yl)prop-2-enoate is COC(=O)C=Cc1cc(F)c(C(C)=O)s1.
What is the InChIKey of methyl 3-(5-acetyl-4-fluorothiophen-2-yl)prop-2-enoate?
The InChIKey is OUCDBAYJINGXRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FO3S/c1-6(12)10-8(11)5-7(15-10)3-4-9(13)14-2/h3-5H,1-2H3.
What are the key properties of methyl 3-(5-acetyl-4-fluorothiophen-2-yl)prop-2-enoate?
methyl 3-(5-acetyl-4-fluorothiophen-2-yl)prop-2-enoate has a molecular weight of 228.24 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(5-acetyl-4-fluorothiophen-2-yl)prop-2-enoate is sourced from PubChem (CID 175475264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).