1-[5-fluoro-2-[2-(trifluoromethyl)phenoxy]phenyl]-3-(1,3-thiazol-2-yl)propan-2-one

C19H13F4NO2S — CID 58541180

IUPAC1-[5-fluoro-2-[2-(trifluoromethyl)phenoxy]phenyl]-3-(1,3-thiazol-2-yl)propan-2-one
SMILESO=C(Cc1nccs1)Cc1cc(F)ccc1Oc1ccccc1C(F)(F)F
InChIInChI=1S/C19H13F4NO2S/c20-13-5-6-16(26-17-4-2-1-3-15(17)19(21,22)23)12(9-13)10-14(25)11-18-24-7-8-27-18/h1-9H,10-11H2
InChIKeyHXNCGRDKUAMNCR-UHFFFAOYSA-N
MW395.38 g/mol
LogP5.45
Rot. Bonds6

About 1-[5-fluoro-2-[2-(trifluoromethyl)phenoxy]phenyl]-3-(1,3-thiazol-2-yl)propan-2-one

1-[5-fluoro-2-[2-(trifluoromethyl)phenoxy]phenyl]-3-(1,3-thiazol-2-yl)propan-2-one (PubChem CID 58541180) has the molecular formula C19H13F4NO2S and a molecular weight of 395.38 g/mol. Its IUPAC name is 1-[5-fluoro-2-[2-(trifluoromethyl)phenoxy]phenyl]-3-(1,3-thiazol-2-yl)propan-2-one.

Molecular Properties

Compound Name1-[5-fluoro-2-[2-(trifluoromethyl)phenoxy]phenyl]-3-(1,3-thiazol-2-yl)propan-2-one
PubChem CID58541180
Molecular FormulaC19H13F4NO2S
Molecular Weight395.38 g/mol
Exact Mass395.06
IUPAC Name1-[5-fluoro-2-[2-(trifluoromethyl)phenoxy]phenyl]-3-(1,3-thiazol-2-yl)propan-2-one
SMILESO=C(Cc1nccs1)Cc1cc(F)ccc1Oc1ccccc1C(F)(F)F
InChIInChI=1S/C19H13F4NO2S/c20-13-5-6-16(26-17-4-2-1-3-15(17)19(21,22)23)12(9-13)10-14(25)11-18-24-7-8-27-18/h1-9H,10-11H2
InChIKeyHXNCGRDKUAMNCR-UHFFFAOYSA-N
XLogP5.45
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.38
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(5-Fluoro-2-methoxyphenyl)phenyl]-3-(1,3-thiazol-2-yl)propanoic acid
CID 121225000
3-[3-(2-Fluoro-6-methoxyphenyl)phenyl]-3-(1,3-thiazol-2-yl)propanoic acid
CID 121225018
3-[3-(2,3-Difluoro-6-methoxyphenyl)phenyl]-3-(1,3-thiazol-2-yl)propanoic acid
CID 121225019
3-[3-(3,5-Difluoro-2-methoxyphenyl)phenyl]-3-(1,3-thiazol-2-yl)propanoic acid
CID 121225028
3-[3-(4-Fluoro-2-methoxyphenyl)phenyl]-3-(1,3-thiazol-2-yl)propanoic acid
CID 121225029
2-Fluoro-5-(4-(hexyloxy)phenyl)-1-(thiazol-2-yl)pentan-1-one
CID 51042295
3-(1,3-Thiazol-2-yl)-3-[3-[3-(2,2,2-trifluoroethoxy)phenyl]phenyl]propanoic acid
CID 118533536
3-(1,3-Thiazol-2-yl)-3-[3-[3-(trifluoromethoxy)phenyl]phenyl]propanoic acid
CID 118533550
3-(1,3-Thiazol-2-yl)-3-[3-[2-(trifluoromethoxy)phenyl]phenyl]propanoic acid
CID 121225035
3-[3-[2-Methoxy-3-(trifluoromethyl)phenyl]phenyl]-3-(1,3-thiazol-2-yl)propanoic acid
CID 121225041
7-(4-Phenylphenoxy)-1-(1,3-thiazol-2-yl)heptan-1-one
CID 44350681
3-(1,3-Thiazol-2-yl)-4-(trifluoromethyl)chromen-2-one
CID 134912142

Frequently Asked Questions

What is the IUPAC name of 1-[5-fluoro-2-[2-(trifluoromethyl)phenoxy]phenyl]-3-(1,3-thiazol-2-yl)propan-2-one?
The IUPAC name of 1-[5-fluoro-2-[2-(trifluoromethyl)phenoxy]phenyl]-3-(1,3-thiazol-2-yl)propan-2-one (CID 58541180) is 1-[5-fluoro-2-[2-(trifluoromethyl)phenoxy]phenyl]-3-(1,3-thiazol-2-yl)propan-2-one.
What is the SMILES notation for 1-[5-fluoro-2-[2-(trifluoromethyl)phenoxy]phenyl]-3-(1,3-thiazol-2-yl)propan-2-one?
The canonical SMILES for 1-[5-fluoro-2-[2-(trifluoromethyl)phenoxy]phenyl]-3-(1,3-thiazol-2-yl)propan-2-one is O=C(Cc1nccs1)Cc1cc(F)ccc1Oc1ccccc1C(F)(F)F.
What is the InChIKey of 1-[5-fluoro-2-[2-(trifluoromethyl)phenoxy]phenyl]-3-(1,3-thiazol-2-yl)propan-2-one?
The InChIKey is HXNCGRDKUAMNCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F4NO2S/c20-13-5-6-16(26-17-4-2-1-3-15(17)19(21,22)23)12(9-13)10-14(25)11-18-24-7-8-27-18/h1-9H,10-11H2.
What are the key properties of 1-[5-fluoro-2-[2-(trifluoromethyl)phenoxy]phenyl]-3-(1,3-thiazol-2-yl)propan-2-one?
1-[5-fluoro-2-[2-(trifluoromethyl)phenoxy]phenyl]-3-(1,3-thiazol-2-yl)propan-2-one has a molecular weight of 395.38 g/mol, XLogP of 5.45, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-fluoro-2-[2-(trifluoromethyl)phenoxy]phenyl]-3-(1,3-thiazol-2-yl)propan-2-one is sourced from PubChem (CID 58541180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).