2,4-difluoro-6-thiophen-2-ylpyrimidin-1-ium

C8H5F2N2S+ — CID 173081995

IUPAC2,4-difluoro-6-thiophen-2-ylpyrimidin-1-ium
SMILESFc1cc(-c2cccs2)[nH+]c(F)n1
InChIInChI=1S/C8H4F2N2S/c9-7-4-5(11-8(10)12-7)6-2-1-3-13-6/h1-4H/p+1
InChIKeyKGUMBMSKTFHBSC-UHFFFAOYSA-O
MW199.21 g/mol
LogP1.90
Rot. Bonds1

About 2,4-difluoro-6-thiophen-2-ylpyrimidin-1-ium

2,4-difluoro-6-thiophen-2-ylpyrimidin-1-ium (PubChem CID 173081995) has the molecular formula C8H5F2N2S+ and a molecular weight of 199.21 g/mol. Its IUPAC name is 2,4-difluoro-6-thiophen-2-ylpyrimidin-1-ium.

Molecular Properties

Compound Name2,4-difluoro-6-thiophen-2-ylpyrimidin-1-ium
PubChem CID173081995
Molecular FormulaC8H5F2N2S+
Molecular Weight199.21 g/mol
Exact Mass199.01
IUPAC Name2,4-difluoro-6-thiophen-2-ylpyrimidin-1-ium
SMILESFc1cc(-c2cccs2)[nH+]c(F)n1
InChIInChI=1S/C8H4F2N2S/c9-7-4-5(11-8(10)12-7)6-2-1-3-13-6/h1-4H/p+1
InChIKeyKGUMBMSKTFHBSC-UHFFFAOYSA-O
XLogP1.90
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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2,6-bis(methylsulfanyl)-4-thiophen-2-ylpyridine
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2-[3-(3,5-dithiophen-2-ylphenyl)-5-thiophen-2-ylphenyl]thiophene
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5-thiophen-2-yl-1,3-bis(trifluoromethyl)pyrazole
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2-(7-thiophen-2-ylnaphthalen-2-yl)thiophene
CID 824515
2,5-dithiophen-2-ylthiophene;ethane
CID 169103820
3,6-dithiophen-2-yldithiine
CID 86180239
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Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-6-thiophen-2-ylpyrimidin-1-ium?
The IUPAC name of 2,4-difluoro-6-thiophen-2-ylpyrimidin-1-ium (CID 173081995) is 2,4-difluoro-6-thiophen-2-ylpyrimidin-1-ium.
What is the SMILES notation for 2,4-difluoro-6-thiophen-2-ylpyrimidin-1-ium?
The canonical SMILES for 2,4-difluoro-6-thiophen-2-ylpyrimidin-1-ium is Fc1cc(-c2cccs2)[nH+]c(F)n1.
What is the InChIKey of 2,4-difluoro-6-thiophen-2-ylpyrimidin-1-ium?
The InChIKey is KGUMBMSKTFHBSC-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H4F2N2S/c9-7-4-5(11-8(10)12-7)6-2-1-3-13-6/h1-4H/p+1.
What are the key properties of 2,4-difluoro-6-thiophen-2-ylpyrimidin-1-ium?
2,4-difluoro-6-thiophen-2-ylpyrimidin-1-ium has a molecular weight of 199.21 g/mol, XLogP of 1.90, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-6-thiophen-2-ylpyrimidin-1-ium is sourced from PubChem (CID 173081995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).