1-[3-fluoro-4-(1,3-thiazol-2-ylmethoxy)phenyl]ethanone

C12H10FNO2S — CID 112703041

IUPAC1-[3-fluoro-4-(1,3-thiazol-2-ylmethoxy)phenyl]ethanone
SMILESCC(=O)c1ccc(OCc2nccs2)c(F)c1
InChIInChI=1S/C12H10FNO2S/c1-8(15)9-2-3-11(10(13)6-9)16-7-12-14-4-5-17-12/h2-6H,7H2,1H3
InChIKeyYTMDRNLYNHXMBV-UHFFFAOYSA-N
MW251.28 g/mol
LogP3.06
Rot. Bonds4

About 1-[3-fluoro-4-(1,3-thiazol-2-ylmethoxy)phenyl]ethanone

1-[3-fluoro-4-(1,3-thiazol-2-ylmethoxy)phenyl]ethanone (PubChem CID 112703041) has the molecular formula C12H10FNO2S and a molecular weight of 251.28 g/mol. Its IUPAC name is 1-[3-fluoro-4-(1,3-thiazol-2-ylmethoxy)phenyl]ethanone.

Molecular Properties

Compound Name1-[3-fluoro-4-(1,3-thiazol-2-ylmethoxy)phenyl]ethanone
PubChem CID112703041
Molecular FormulaC12H10FNO2S
Molecular Weight251.28 g/mol
Exact Mass251.04
IUPAC Name1-[3-fluoro-4-(1,3-thiazol-2-ylmethoxy)phenyl]ethanone
SMILESCC(=O)c1ccc(OCc2nccs2)c(F)c1
InChIInChI=1S/C12H10FNO2S/c1-8(15)9-2-3-11(10(13)6-9)16-7-12-14-4-5-17-12/h2-6H,7H2,1H3
InChIKeyYTMDRNLYNHXMBV-UHFFFAOYSA-N
XLogP3.06
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[(4-bromothiophen-2-yl)methoxy]-3-fluorophenyl]ethanone
CID 113237188
1-[3-fluoro-4-[(4-hydroxyphenyl)methoxy]phenyl]ethanone
CID 113389556
1-[3-fluoro-4-[(4-fluorophenyl)methoxy]phenyl]ethanone
CID 112689439
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
3-[(4-acetyl-2-fluorophenoxy)methyl]-4-fluorobenzonitrile
CID 115610587
3-fluoro-4-methoxy-N-methyl-N-(1,3-thiazol-2-yl)benzamide
CID 86980050
1-[3-fluoro-4-(4-phenylbutoxy)phenyl]ethanone
CID 114333678
2-[(3-fluoro-4-methylphenoxy)methyl]-1,3-thiazole
CID 99836749
4-(1,3-benzothiazol-2-ylmethoxy)-3-fluorobenzoic acid
CID 107689778
1-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methoxy]-3-methylphenyl]ethanone
CID 115687868
1-(3-fluoro-4-quinolin-8-yloxyphenyl)ethanone
CID 28825225

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-4-(1,3-thiazol-2-ylmethoxy)phenyl]ethanone?
The IUPAC name of 1-[3-fluoro-4-(1,3-thiazol-2-ylmethoxy)phenyl]ethanone (CID 112703041) is 1-[3-fluoro-4-(1,3-thiazol-2-ylmethoxy)phenyl]ethanone.
What is the SMILES notation for 1-[3-fluoro-4-(1,3-thiazol-2-ylmethoxy)phenyl]ethanone?
The canonical SMILES for 1-[3-fluoro-4-(1,3-thiazol-2-ylmethoxy)phenyl]ethanone is CC(=O)c1ccc(OCc2nccs2)c(F)c1.
What is the InChIKey of 1-[3-fluoro-4-(1,3-thiazol-2-ylmethoxy)phenyl]ethanone?
The InChIKey is YTMDRNLYNHXMBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO2S/c1-8(15)9-2-3-11(10(13)6-9)16-7-12-14-4-5-17-12/h2-6H,7H2,1H3.
What are the key properties of 1-[3-fluoro-4-(1,3-thiazol-2-ylmethoxy)phenyl]ethanone?
1-[3-fluoro-4-(1,3-thiazol-2-ylmethoxy)phenyl]ethanone has a molecular weight of 251.28 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-4-(1,3-thiazol-2-ylmethoxy)phenyl]ethanone is sourced from PubChem (CID 112703041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).