[2-(5-bromothiophen-2-yl)-2-oxoethyl] 3-(2-fluorophenoxy)propanoate

C15H12BrFO4S — CID 2430889

IUPAC[2-(5-bromothiophen-2-yl)-2-oxoethyl] 3-(2-fluorophenoxy)propanoate
SMILESO=C(CCOc1ccccc1F)OCC(=O)c1ccc(Br)s1
InChIInChI=1S/C15H12BrFO4S/c16-14-6-5-13(22-14)11(18)9-21-15(19)7-8-20-12-4-2-1-3-10(12)17/h1-6H,7-9H2
InChIKeyCGJXGPRHENYEDX-UHFFFAOYSA-N
MW387.23 g/mol
LogP3.84
Rot. Bonds7

About [2-(5-bromothiophen-2-yl)-2-oxoethyl] 3-(2-fluorophenoxy)propanoate

[2-(5-bromothiophen-2-yl)-2-oxoethyl] 3-(2-fluorophenoxy)propanoate (PubChem CID 2430889) has the molecular formula C15H12BrFO4S and a molecular weight of 387.23 g/mol. Its IUPAC name is [2-(5-bromothiophen-2-yl)-2-oxoethyl] 3-(2-fluorophenoxy)propanoate.

Molecular Properties

Compound Name[2-(5-bromothiophen-2-yl)-2-oxoethyl] 3-(2-fluorophenoxy)propanoate
PubChem CID2430889
Molecular FormulaC15H12BrFO4S
Molecular Weight387.23 g/mol
Exact Mass385.96
IUPAC Name[2-(5-bromothiophen-2-yl)-2-oxoethyl] 3-(2-fluorophenoxy)propanoate
SMILESO=C(CCOc1ccccc1F)OCC(=O)c1ccc(Br)s1
InChIInChI=1S/C15H12BrFO4S/c16-14-6-5-13(22-14)11(18)9-21-15(19)7-8-20-12-4-2-1-3-10(12)17/h1-6H,7-9H2
InChIKeyCGJXGPRHENYEDX-UHFFFAOYSA-N
XLogP3.84
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.23
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(5-bromothiophen-2-yl)-2-oxoethyl] benzoate
CID 2099896
[2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl] 2-(2-fluorophenoxy)acetate
CID 8521287
N-[(Z)-1-(5-bromothiophen-2-yl)ethylideneamino]-2-(2-fluorophenoxy)acetamide
CID 9316947
[2-(5-bromothiophen-2-yl)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
CID 2497114
4-(2-fluorophenoxy)butan-2-one
CID 28948853
3-(2-fluorophenoxy)-1-(4-fluorophenyl)propan-1-one
CID 43793598
[2-(5-bromothiophen-2-yl)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate
CID 8662439
[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 3-(2-fluorophenoxy)propanoate
CID 2468396
3-(2-fluorophenoxy)-N-methoxypropanamide
CID 60717911
(2-fluorophenyl)methyl 3-(2-aminophenoxy)propanoate
CID 61316164
N'-[2-(4-bromophenoxy)acetyl]-3-(2-fluorophenoxy)propanehydrazide
CID 78775232
hydrazinyl 3-(5-bromo-2-fluorophenoxy)propanoate
CID 114677081

Frequently Asked Questions

What is the IUPAC name of [2-(5-bromothiophen-2-yl)-2-oxoethyl] 3-(2-fluorophenoxy)propanoate?
The IUPAC name of [2-(5-bromothiophen-2-yl)-2-oxoethyl] 3-(2-fluorophenoxy)propanoate (CID 2430889) is [2-(5-bromothiophen-2-yl)-2-oxoethyl] 3-(2-fluorophenoxy)propanoate.
What is the SMILES notation for [2-(5-bromothiophen-2-yl)-2-oxoethyl] 3-(2-fluorophenoxy)propanoate?
The canonical SMILES for [2-(5-bromothiophen-2-yl)-2-oxoethyl] 3-(2-fluorophenoxy)propanoate is O=C(CCOc1ccccc1F)OCC(=O)c1ccc(Br)s1.
What is the InChIKey of [2-(5-bromothiophen-2-yl)-2-oxoethyl] 3-(2-fluorophenoxy)propanoate?
The InChIKey is CGJXGPRHENYEDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrFO4S/c16-14-6-5-13(22-14)11(18)9-21-15(19)7-8-20-12-4-2-1-3-10(12)17/h1-6H,7-9H2.
What are the key properties of [2-(5-bromothiophen-2-yl)-2-oxoethyl] 3-(2-fluorophenoxy)propanoate?
[2-(5-bromothiophen-2-yl)-2-oxoethyl] 3-(2-fluorophenoxy)propanoate has a molecular weight of 387.23 g/mol, XLogP of 3.84, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-bromothiophen-2-yl)-2-oxoethyl] 3-(2-fluorophenoxy)propanoate is sourced from PubChem (CID 2430889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).