5-fluoro-6-[2-(trifluoromethyl)phenyl]-1H-pyrimidine-2-thione

C11H6F4N2S — CID 106516785

IUPAC5-fluoro-6-[2-(trifluoromethyl)phenyl]-1H-pyrimidine-2-thione
SMILESFc1cnc(=S)[nH]c1-c1ccccc1C(F)(F)F
InChIInChI=1S/C11H6F4N2S/c12-8-5-16-10(18)17-9(8)6-3-1-2-4-7(6)11(13,14)15/h1-5H,(H,16,17,18)
InChIKeyTVXHEOAJSJVPRY-UHFFFAOYSA-N
MW274.24 g/mol
LogP3.96
Rot. Bonds1

About 5-fluoro-6-[2-(trifluoromethyl)phenyl]-1H-pyrimidine-2-thione

5-fluoro-6-[2-(trifluoromethyl)phenyl]-1H-pyrimidine-2-thione (PubChem CID 106516785) has the molecular formula C11H6F4N2S and a molecular weight of 274.24 g/mol. Its IUPAC name is 5-fluoro-6-[2-(trifluoromethyl)phenyl]-1H-pyrimidine-2-thione.

Molecular Properties

Compound Name5-fluoro-6-[2-(trifluoromethyl)phenyl]-1H-pyrimidine-2-thione
PubChem CID106516785
Molecular FormulaC11H6F4N2S
Molecular Weight274.24 g/mol
Exact Mass274.02
IUPAC Name5-fluoro-6-[2-(trifluoromethyl)phenyl]-1H-pyrimidine-2-thione
SMILESFc1cnc(=S)[nH]c1-c1ccccc1C(F)(F)F
InChIInChI=1S/C11H6F4N2S/c12-8-5-16-10(18)17-9(8)6-3-1-2-4-7(6)11(13,14)15/h1-5H,(H,16,17,18)
InChIKeyTVXHEOAJSJVPRY-UHFFFAOYSA-N
XLogP3.96
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.24
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

5-fluoro-6-(2-methylphenyl)-1H-pyrimidine-2-thione
CID 106514472
5-fluoro-6-[4-(trifluoromethyl)thiophen-3-yl]-1H-pyrimidine-2-thione
CID 112745765
5-fluoro-6-[2-methyl-4-(trifluoromethyl)phenyl]-1H-pyrimidine-2-thione
CID 106522970
6-[2-(trifluoromethyl)phenyl]-1H-pyridine-2-thione
CID 106516792
2,5-dimethyl-6-[2-(trifluoromethyl)phenyl]-1H-pyrimidine-4-thione
CID 106516812
1-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]benzene
CID 3013906
4-fluoro-3,5-bis[2-(trifluoromethyl)phenyl]pyridine
CID 133089510
6-[4-(trifluoromethyl)-3-pyridinyl]-1H-pyrimidine-2-thione
CID 106522532
2-fluoro-5-(trifluoromethyl)-3-[2-(trifluoromethyl)phenyl]pyridine
CID 133089831
5-methyl-6-[2-(trifluoromethoxy)phenyl]-1H-pyrimidine-2-thione
CID 106514804
5-fluoro-2-methoxy-4-[2-(trifluoromethyl)phenyl]pyridine
CID 133089593
5-fluoro-6-(2-fluorophenyl)-1H-pyrimidin-2-one
CID 106516268

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-[2-(trifluoromethyl)phenyl]-1H-pyrimidine-2-thione?
The IUPAC name of 5-fluoro-6-[2-(trifluoromethyl)phenyl]-1H-pyrimidine-2-thione (CID 106516785) is 5-fluoro-6-[2-(trifluoromethyl)phenyl]-1H-pyrimidine-2-thione.
What is the SMILES notation for 5-fluoro-6-[2-(trifluoromethyl)phenyl]-1H-pyrimidine-2-thione?
The canonical SMILES for 5-fluoro-6-[2-(trifluoromethyl)phenyl]-1H-pyrimidine-2-thione is Fc1cnc(=S)[nH]c1-c1ccccc1C(F)(F)F.
What is the InChIKey of 5-fluoro-6-[2-(trifluoromethyl)phenyl]-1H-pyrimidine-2-thione?
The InChIKey is TVXHEOAJSJVPRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F4N2S/c12-8-5-16-10(18)17-9(8)6-3-1-2-4-7(6)11(13,14)15/h1-5H,(H,16,17,18).
What are the key properties of 5-fluoro-6-[2-(trifluoromethyl)phenyl]-1H-pyrimidine-2-thione?
5-fluoro-6-[2-(trifluoromethyl)phenyl]-1H-pyrimidine-2-thione has a molecular weight of 274.24 g/mol, XLogP of 3.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-[2-(trifluoromethyl)phenyl]-1H-pyrimidine-2-thione is sourced from PubChem (CID 106516785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).