2-thiophen-2-ylethyl 2-fluoro-3-methylbenzoate

C14H13FO2S — CID 80712277

IUPAC2-thiophen-2-ylethyl 2-fluoro-3-methylbenzoate
SMILESCc1cccc(C(=O)OCCc2cccs2)c1F
InChIInChI=1S/C14H13FO2S/c1-10-4-2-6-12(13(10)15)14(16)17-8-7-11-5-3-9-18-11/h2-6,9H,7-8H2,1H3
InChIKeyOMCFJOLWZOEGHD-UHFFFAOYSA-N
MW264.32 g/mol
LogP3.60
Rot. Bonds4

About 2-thiophen-2-ylethyl 2-fluoro-3-methylbenzoate

2-thiophen-2-ylethyl 2-fluoro-3-methylbenzoate (PubChem CID 80712277) has the molecular formula C14H13FO2S and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-thiophen-2-ylethyl 2-fluoro-3-methylbenzoate.

Molecular Properties

Compound Name2-thiophen-2-ylethyl 2-fluoro-3-methylbenzoate
PubChem CID80712277
Molecular FormulaC14H13FO2S
Molecular Weight264.32 g/mol
Exact Mass264.06
IUPAC Name2-thiophen-2-ylethyl 2-fluoro-3-methylbenzoate
SMILESCc1cccc(C(=O)OCCc2cccs2)c1F
InChIInChI=1S/C14H13FO2S/c1-10-4-2-6-12(13(10)15)14(16)17-8-7-11-5-3-9-18-11/h2-6,9H,7-8H2,1H3
InChIKeyOMCFJOLWZOEGHD-UHFFFAOYSA-N
XLogP3.60
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-thiophen-2-ylethyl 2-fluoro-4-methoxybenzoate
CID 113227820
2-thiophen-2-ylethyl 2,3-diamino-5-methylbenzoate
CID 81444536
3,3-dimethylbutyl 2-fluoro-3-methylbenzoate
CID 81478597
2-thiophen-2-ylethyl 2-amino-4-methoxybenzoate
CID 78960520
3-(2-methoxyethoxy)propyl 2-fluoro-3-methylbenzoate
CID 103407273
N-[2-(2-fluoro-3-methylphenoxy)ethyl]-2-thiophen-2-ylethanamine
CID 107661497
2-thiophen-2-ylethyl 2-amino-6-methoxybenzoate
CID 81413803
2-thiophen-2-ylethyl 4,6-dimethyl-2-oxo-1H-pyridine-3-carboxylate
CID 75499844
1-(2,3-dimethylphenyl)-3-thiophen-2-ylpropan-1-one
CID 114973203
2-thiophen-2-ylethyl 3-(aminomethyl)benzoate
CID 54966662
2-thiophen-2-ylethyl 1-chloroisoquinoline-4-carboxylate
CID 106777636
2-thiophen-2-ylethyl 3-amino-2-methylpropanoate
CID 62669004

Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-ylethyl 2-fluoro-3-methylbenzoate?
The IUPAC name of 2-thiophen-2-ylethyl 2-fluoro-3-methylbenzoate (CID 80712277) is 2-thiophen-2-ylethyl 2-fluoro-3-methylbenzoate.
What is the SMILES notation for 2-thiophen-2-ylethyl 2-fluoro-3-methylbenzoate?
The canonical SMILES for 2-thiophen-2-ylethyl 2-fluoro-3-methylbenzoate is Cc1cccc(C(=O)OCCc2cccs2)c1F.
What is the InChIKey of 2-thiophen-2-ylethyl 2-fluoro-3-methylbenzoate?
The InChIKey is OMCFJOLWZOEGHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FO2S/c1-10-4-2-6-12(13(10)15)14(16)17-8-7-11-5-3-9-18-11/h2-6,9H,7-8H2,1H3.
What are the key properties of 2-thiophen-2-ylethyl 2-fluoro-3-methylbenzoate?
2-thiophen-2-ylethyl 2-fluoro-3-methylbenzoate has a molecular weight of 264.32 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-ylethyl 2-fluoro-3-methylbenzoate is sourced from PubChem (CID 80712277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).