1-[4-[(4-bromothiophen-2-yl)methoxy]-3-fluorophenyl]ethanone

C13H10BrFO2S — CID 113237188

IUPAC1-[4-[(4-bromothiophen-2-yl)methoxy]-3-fluorophenyl]ethanone
SMILESCC(=O)c1ccc(OCc2cc(Br)cs2)c(F)c1
InChIInChI=1S/C13H10BrFO2S/c1-8(16)9-2-3-13(12(15)4-9)17-6-11-5-10(14)7-18-11/h2-5,7H,6H2,1H3
InChIKeyNZJGZRLGGPDRHY-UHFFFAOYSA-N
MW329.19 g/mol
LogP4.43
Rot. Bonds4

About 1-[4-[(4-bromothiophen-2-yl)methoxy]-3-fluorophenyl]ethanone

1-[4-[(4-bromothiophen-2-yl)methoxy]-3-fluorophenyl]ethanone (PubChem CID 113237188) has the molecular formula C13H10BrFO2S and a molecular weight of 329.19 g/mol. Its IUPAC name is 1-[4-[(4-bromothiophen-2-yl)methoxy]-3-fluorophenyl]ethanone.

Molecular Properties

Compound Name1-[4-[(4-bromothiophen-2-yl)methoxy]-3-fluorophenyl]ethanone
PubChem CID113237188
Molecular FormulaC13H10BrFO2S
Molecular Weight329.19 g/mol
Exact Mass327.96
IUPAC Name1-[4-[(4-bromothiophen-2-yl)methoxy]-3-fluorophenyl]ethanone
SMILESCC(=O)c1ccc(OCc2cc(Br)cs2)c(F)c1
InChIInChI=1S/C13H10BrFO2S/c1-8(16)9-2-3-13(12(15)4-9)17-6-11-5-10(14)7-18-11/h2-5,7H,6H2,1H3
InChIKeyNZJGZRLGGPDRHY-UHFFFAOYSA-N
XLogP4.43
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.19
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-fluoro-4-(1,3-thiazol-2-ylmethoxy)phenyl]ethanone
CID 112703041
1-[3-fluoro-4-[(4-hydroxyphenyl)methoxy]phenyl]ethanone
CID 113389556
1-[3-fluoro-4-[(4-fluorophenyl)methoxy]phenyl]ethanone
CID 112689439
N-[[4-[(4-bromothiophen-2-yl)methoxy]-3-fluorophenyl]methyl]propan-2-amine
CID 107687443
N-[(4-bromothiophen-2-yl)methyl]-3-fluoro-4-methoxybenzamide
CID 60794568
1-[3-fluoro-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanone
CID 112689447
1-[4-[(2-chloro-4-fluorophenyl)methoxy]-3-fluorophenyl]ethanone
CID 115610625
1-[4-[(5-bromo-2-fluorophenyl)methoxy]-3-methoxyphenyl]ethanone
CID 28530286
1-[4-(4-bromo-2-methylphenoxy)-3-fluorophenyl]ethanone
CID 63532817
1-[3-[(5-bromo-2-fluorophenoxy)methyl]-4-methoxyphenyl]ethanone
CID 115918445
3-[(4-acetyl-2-fluorophenoxy)methyl]-4-fluorobenzonitrile
CID 115610587
N-[[2-[(4-bromothiophen-2-yl)methoxy]-5-fluorophenyl]methyl]ethanamine
CID 107695728

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-bromothiophen-2-yl)methoxy]-3-fluorophenyl]ethanone?
The IUPAC name of 1-[4-[(4-bromothiophen-2-yl)methoxy]-3-fluorophenyl]ethanone (CID 113237188) is 1-[4-[(4-bromothiophen-2-yl)methoxy]-3-fluorophenyl]ethanone.
What is the SMILES notation for 1-[4-[(4-bromothiophen-2-yl)methoxy]-3-fluorophenyl]ethanone?
The canonical SMILES for 1-[4-[(4-bromothiophen-2-yl)methoxy]-3-fluorophenyl]ethanone is CC(=O)c1ccc(OCc2cc(Br)cs2)c(F)c1.
What is the InChIKey of 1-[4-[(4-bromothiophen-2-yl)methoxy]-3-fluorophenyl]ethanone?
The InChIKey is NZJGZRLGGPDRHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrFO2S/c1-8(16)9-2-3-13(12(15)4-9)17-6-11-5-10(14)7-18-11/h2-5,7H,6H2,1H3.
What are the key properties of 1-[4-[(4-bromothiophen-2-yl)methoxy]-3-fluorophenyl]ethanone?
1-[4-[(4-bromothiophen-2-yl)methoxy]-3-fluorophenyl]ethanone has a molecular weight of 329.19 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-bromothiophen-2-yl)methoxy]-3-fluorophenyl]ethanone is sourced from PubChem (CID 113237188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).