methyl 3-(2,4-difluorophenyl)sulfanylprop-2-enoate

C10H8F2O2S — CID 79889088

IUPACmethyl 3-(2,4-difluorophenyl)sulfanylprop-2-enoate
SMILESCOC(=O)C=CSc1ccc(F)cc1F
InChIInChI=1S/C10H8F2O2S/c1-14-10(13)4-5-15-9-3-2-7(11)6-8(9)12/h2-6H,1H3
InChIKeyUHPLLNYZRXALFU-UHFFFAOYSA-N
MW230.24 g/mol
LogP2.74
Rot. Bonds3

About methyl 3-(2,4-difluorophenyl)sulfanylprop-2-enoate

methyl 3-(2,4-difluorophenyl)sulfanylprop-2-enoate (PubChem CID 79889088) has the molecular formula C10H8F2O2S and a molecular weight of 230.24 g/mol. Its IUPAC name is methyl 3-(2,4-difluorophenyl)sulfanylprop-2-enoate.

Molecular Properties

Compound Namemethyl 3-(2,4-difluorophenyl)sulfanylprop-2-enoate
PubChem CID79889088
Molecular FormulaC10H8F2O2S
Molecular Weight230.24 g/mol
Exact Mass230.02
IUPAC Namemethyl 3-(2,4-difluorophenyl)sulfanylprop-2-enoate
SMILESCOC(=O)C=CSc1ccc(F)cc1F
InChIInChI=1S/C10H8F2O2S/c1-14-10(13)4-5-15-9-3-2-7(11)6-8(9)12/h2-6H,1H3
InChIKeyUHPLLNYZRXALFU-UHFFFAOYSA-N
XLogP2.74
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.24
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl (E)-3-[2-[(E)-3-methoxy-3-oxoprop-1-enyl]sulfanylphenyl]sulfanylprop-2-enoate
CID 132572730
methyl 3-(3,4-difluorophenyl)sulfanylprop-2-enoate
CID 79888762
methyl (E)-3-(2,5-difluorophenyl)prop-2-enoate
CID 53338930
methyl (E)-3-(2,4,6-trifluorophenyl)prop-2-enoate
CID 102052525
methyl 3-(2-amino-5-methoxyphenyl)sulfanylprop-2-enoate
CID 79889024
methyl (E)-4-(5-fluoro-2-hydroxyphenyl)-4-oxobut-2-enoate
CID 82551461
methyl (E)-3-[[(1S)-1-(4-fluorophenyl)ethyl]amino]prop-2-enoate
CID 103257163
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
2-[4-fluoro-2-(3-methoxy-3-oxoprop-1-enyl)phenyl]acetic acid
CID 169479353
(2R)-2-(2,4-difluorophenyl)sulfanyl-N-(2-methoxyphenyl)propanamide
CID 9046467
methyl 3-amino-4-(2,4-difluorophenyl)sulfanylbenzoate
CID 61307929

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2,4-difluorophenyl)sulfanylprop-2-enoate?
The IUPAC name of methyl 3-(2,4-difluorophenyl)sulfanylprop-2-enoate (CID 79889088) is methyl 3-(2,4-difluorophenyl)sulfanylprop-2-enoate.
What is the SMILES notation for methyl 3-(2,4-difluorophenyl)sulfanylprop-2-enoate?
The canonical SMILES for methyl 3-(2,4-difluorophenyl)sulfanylprop-2-enoate is COC(=O)C=CSc1ccc(F)cc1F.
What is the InChIKey of methyl 3-(2,4-difluorophenyl)sulfanylprop-2-enoate?
The InChIKey is UHPLLNYZRXALFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2O2S/c1-14-10(13)4-5-15-9-3-2-7(11)6-8(9)12/h2-6H,1H3.
What are the key properties of methyl 3-(2,4-difluorophenyl)sulfanylprop-2-enoate?
methyl 3-(2,4-difluorophenyl)sulfanylprop-2-enoate has a molecular weight of 230.24 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2,4-difluorophenyl)sulfanylprop-2-enoate is sourced from PubChem (CID 79889088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).