4-(2-fluorophenyl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole

C11H7F4NS — CID 116969906

IUPAC4-(2-fluorophenyl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole
SMILESFc1ccccc1-c1csc(CC(F)(F)F)n1
InChIInChI=1S/C11H7F4NS/c12-8-4-2-1-3-7(8)9-6-17-10(16-9)5-11(13,14)15/h1-4,6H,5H2
InChIKeyDAYTVNWODNAHPT-UHFFFAOYSA-N
MW261.24 g/mol
LogP4.05
Rot. Bonds2

About 4-(2-fluorophenyl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole

4-(2-fluorophenyl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole (PubChem CID 116969906) has the molecular formula C11H7F4NS and a molecular weight of 261.24 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(2-fluorophenyl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole
PubChem CID116969906
Molecular FormulaC11H7F4NS
Molecular Weight261.24 g/mol
Exact Mass261.02
IUPAC Name4-(2-fluorophenyl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole
SMILESFc1ccccc1-c1csc(CC(F)(F)F)n1
InChIInChI=1S/C11H7F4NS/c12-8-4-2-1-3-7(8)9-6-17-10(16-9)5-11(13,14)15/h1-4,6H,5H2
InChIKeyDAYTVNWODNAHPT-UHFFFAOYSA-N
XLogP4.05
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]ethanamine;hydrobromide
CID 127046715
1-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]butan-2-amine
CID 62647488
[1-[[4-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl]cyclopropyl]methanamine
CID 116969377
2-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]ethylcarbamic acid
CID 68925492
[4-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl-methylcarbamic acid
CID 68925488
N-[(4-amino-2-pyridinyl)methyl]-N'-[[4-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl]oxamide;2,2,2-trifluoroacetic acid
CID 166363512
1-[[4-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl]-4-methylpyridin-2-one
CID 84566782
1-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-methylpropan-2-amine
CID 116964955
4-(5-methylfuran-2-yl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole
CID 116969911
2-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 8962931
1-phenyl-2-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-4-yl]ethanamine
CID 62366704
3-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]phenol
CID 28942301

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole?
The IUPAC name of 4-(2-fluorophenyl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole (CID 116969906) is 4-(2-fluorophenyl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole.
What is the SMILES notation for 4-(2-fluorophenyl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole?
The canonical SMILES for 4-(2-fluorophenyl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole is Fc1ccccc1-c1csc(CC(F)(F)F)n1.
What is the InChIKey of 4-(2-fluorophenyl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole?
The InChIKey is DAYTVNWODNAHPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F4NS/c12-8-4-2-1-3-7(8)9-6-17-10(16-9)5-11(13,14)15/h1-4,6H,5H2.
What are the key properties of 4-(2-fluorophenyl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole?
4-(2-fluorophenyl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole has a molecular weight of 261.24 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole is sourced from PubChem (CID 116969906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).