4-[2-fluoro-3-(trifluoromethoxy)phenyl]-1,3-thiazole

C10H5F4NOS — CID 152598086

IUPAC4-[2-fluoro-3-(trifluoromethoxy)phenyl]-1,3-thiazole
SMILESFc1c(OC(F)(F)F)cccc1-c1cscn1
InChIInChI=1S/C10H5F4NOS/c11-9-6(7-4-17-5-15-7)2-1-3-8(9)16-10(12,13)14/h1-5H
InChIKeyYWXSEEHYVRXQGD-UHFFFAOYSA-N
MW263.22 g/mol
LogP3.85
Rot. Bonds2

About 4-[2-fluoro-3-(trifluoromethoxy)phenyl]-1,3-thiazole

4-[2-fluoro-3-(trifluoromethoxy)phenyl]-1,3-thiazole (PubChem CID 152598086) has the molecular formula C10H5F4NOS and a molecular weight of 263.22 g/mol. Its IUPAC name is 4-[2-fluoro-3-(trifluoromethoxy)phenyl]-1,3-thiazole.

Molecular Properties

Compound Name4-[2-fluoro-3-(trifluoromethoxy)phenyl]-1,3-thiazole
PubChem CID152598086
Molecular FormulaC10H5F4NOS
Molecular Weight263.22 g/mol
Exact Mass263.00
IUPAC Name4-[2-fluoro-3-(trifluoromethoxy)phenyl]-1,3-thiazole
SMILESFc1c(OC(F)(F)F)cccc1-c1cscn1
InChIInChI=1S/C10H5F4NOS/c11-9-6(7-4-17-5-15-7)2-1-3-8(9)16-10(12,13)14/h1-5H
InChIKeyYWXSEEHYVRXQGD-UHFFFAOYSA-N
XLogP3.85
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.22
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-difluoro-2-[2-(trifluoromethoxy)phenyl]benzene
CID 22617307
4-(5-fluoro-2-methoxyphenyl)-1,3-thiazole
CID 4984858
2-fluoro-3-(trifluoromethoxy)aniline
CID 25210503
2-fluoro-1-[(2-methylpropan-2-yl)oxy]-3-(trifluoromethoxy)benzene
CID 118333609
1-(trifluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]benzene
CID 18785200
[2-acetyloxy-3-(1,3-thiazol-4-yl)phenyl] acetate
CID 54040681
1-tert-butyl-2-fluoro-3-(trifluoromethoxy)benzene
CID 118334273
4-fluoro-2,6-bis[2-(trifluoromethoxy)phenyl]pyridine
CID 133088911
3-chloro-2-fluoro-4-[2-(trifluoromethoxy)phenyl]pyridine
CID 133088932
2,4-dichloro-3-[2-(trifluoromethoxy)phenyl]pyridine
CID 134617905
4,6-difluoro-5-[2-(trifluoromethoxy)phenyl]-1H-benzimidazole
CID 175087809
2-fluoro-6-(trifluoromethoxy)phenol
CID 68960936

Frequently Asked Questions

What is the IUPAC name of 4-[2-fluoro-3-(trifluoromethoxy)phenyl]-1,3-thiazole?
The IUPAC name of 4-[2-fluoro-3-(trifluoromethoxy)phenyl]-1,3-thiazole (CID 152598086) is 4-[2-fluoro-3-(trifluoromethoxy)phenyl]-1,3-thiazole.
What is the SMILES notation for 4-[2-fluoro-3-(trifluoromethoxy)phenyl]-1,3-thiazole?
The canonical SMILES for 4-[2-fluoro-3-(trifluoromethoxy)phenyl]-1,3-thiazole is Fc1c(OC(F)(F)F)cccc1-c1cscn1.
What is the InChIKey of 4-[2-fluoro-3-(trifluoromethoxy)phenyl]-1,3-thiazole?
The InChIKey is YWXSEEHYVRXQGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F4NOS/c11-9-6(7-4-17-5-15-7)2-1-3-8(9)16-10(12,13)14/h1-5H.
What are the key properties of 4-[2-fluoro-3-(trifluoromethoxy)phenyl]-1,3-thiazole?
4-[2-fluoro-3-(trifluoromethoxy)phenyl]-1,3-thiazole has a molecular weight of 263.22 g/mol, XLogP of 3.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-fluoro-3-(trifluoromethoxy)phenyl]-1,3-thiazole is sourced from PubChem (CID 152598086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).