methyl (E)-3-[5-(4-fluorophenyl)thiophen-2-yl]prop-2-enoate

C14H11FO2S — CID 113220269

IUPACmethyl (E)-3-[5-(4-fluorophenyl)thiophen-2-yl]prop-2-enoate
SMILESCOC(=O)/C=C/c1ccc(-c2ccc(F)cc2)s1
InChIInChI=1S/C14H11FO2S/c1-17-14(16)9-7-12-6-8-13(18-12)10-2-4-11(15)5-3-10/h2-9H,1H3/b9-7+
InChIKeyHCZPPWAASKJGRJ-VQHVLOKHSA-N
MW262.31 g/mol
LogP3.74
Rot. Bonds3

About methyl (E)-3-[5-(4-fluorophenyl)thiophen-2-yl]prop-2-enoate

methyl (E)-3-[5-(4-fluorophenyl)thiophen-2-yl]prop-2-enoate (PubChem CID 113220269) has the molecular formula C14H11FO2S and a molecular weight of 262.31 g/mol. Its IUPAC name is methyl (E)-3-[5-(4-fluorophenyl)thiophen-2-yl]prop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-3-[5-(4-fluorophenyl)thiophen-2-yl]prop-2-enoate
PubChem CID113220269
Molecular FormulaC14H11FO2S
Molecular Weight262.31 g/mol
Exact Mass262.05
IUPAC Namemethyl (E)-3-[5-(4-fluorophenyl)thiophen-2-yl]prop-2-enoate
SMILESCOC(=O)/C=C/c1ccc(-c2ccc(F)cc2)s1
InChIInChI=1S/C14H11FO2S/c1-17-14(16)9-7-12-6-8-13(18-12)10-2-4-11(15)5-3-10/h2-9H,1H3/b9-7+
InChIKeyHCZPPWAASKJGRJ-VQHVLOKHSA-N
XLogP3.74
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 53.74
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

(E)-3-[5-(4-fluorophenyl)thiophen-2-yl]-N-(1-methoxypropan-2-yl)prop-2-enamide
CID 42938969
ethyl (E)-3-[5-(4-methylphenyl)thiophen-2-yl]prop-2-enoate
CID 70958646
2-[3-[5-(4-fluorophenyl)thiophen-2-yl]prop-2-enoylamino]-N-methylbenzamide
CID 76855623
2-[3-[5-(4-fluorophenyl)thiophen-2-yl]prop-2-enoylamino]-5-methoxy-N-methylbenzamide
CID 72684548
methyl 3-(5-thiophen-2-ylthiophen-2-yl)prop-2-enoate
CID 169479932
(E)-3-[5-(4-methoxyphenyl)thiophen-2-yl]prop-2-enoic acid
CID 11311515
1,5-bis[5-(4-methylphenyl)thiophen-2-yl]penta-1,4-dien-3-one
CID 71398985
methyl (E)-3-(5-methoxythiophen-2-yl)prop-2-enoate
CID 68847541
3-[5-(4-fluorophenyl)thiophen-2-yl]-2-methylprop-2-enoic acid
CID 79726680
(E)-N-(5-fluoro-2-methylphenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide
CID 18277303
methyl 3-(5-ethylthiophen-2-yl)prop-2-enoate
CID 70628274
(E)-3-[5-(3,5-difluorophenyl)thiophen-2-yl]prop-2-enoic acid
CID 43331633

Frequently Asked Questions

What is the IUPAC name of methyl (E)-3-[5-(4-fluorophenyl)thiophen-2-yl]prop-2-enoate?
The IUPAC name of methyl (E)-3-[5-(4-fluorophenyl)thiophen-2-yl]prop-2-enoate (CID 113220269) is methyl (E)-3-[5-(4-fluorophenyl)thiophen-2-yl]prop-2-enoate.
What is the SMILES notation for methyl (E)-3-[5-(4-fluorophenyl)thiophen-2-yl]prop-2-enoate?
The canonical SMILES for methyl (E)-3-[5-(4-fluorophenyl)thiophen-2-yl]prop-2-enoate is COC(=O)/C=C/c1ccc(-c2ccc(F)cc2)s1.
What is the InChIKey of methyl (E)-3-[5-(4-fluorophenyl)thiophen-2-yl]prop-2-enoate?
The InChIKey is HCZPPWAASKJGRJ-VQHVLOKHSA-N. The full InChI is InChI=1S/C14H11FO2S/c1-17-14(16)9-7-12-6-8-13(18-12)10-2-4-11(15)5-3-10/h2-9H,1H3/b9-7+.
What are the key properties of methyl (E)-3-[5-(4-fluorophenyl)thiophen-2-yl]prop-2-enoate?
methyl (E)-3-[5-(4-fluorophenyl)thiophen-2-yl]prop-2-enoate has a molecular weight of 262.31 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3-[5-(4-fluorophenyl)thiophen-2-yl]prop-2-enoate is sourced from PubChem (CID 113220269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).