2,5-difluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-methoxypyrimidine

C8H3F9N2O — CID 162536445

IUPAC2,5-difluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-methoxypyrimidine
SMILESCOc1nc(F)nc(C(F)(C(F)(F)F)C(F)(F)F)c1F
InChIInChI=1S/C8H3F9N2O/c1-20-4-2(9)3(18-5(10)19-4)6(11,7(12,13)14)8(15,16)17/h1H3
InChIKeySPMDUDBVWLFQMO-UHFFFAOYSA-N
MW314.11 g/mol
LogP3.05
Rot. Bonds2

About 2,5-difluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-methoxypyrimidine

2,5-difluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-methoxypyrimidine (PubChem CID 162536445) has the molecular formula C8H3F9N2O and a molecular weight of 314.11 g/mol. Its IUPAC name is 2,5-difluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-methoxypyrimidine.

Molecular Properties

Compound Name2,5-difluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-methoxypyrimidine
PubChem CID162536445
Molecular FormulaC8H3F9N2O
Molecular Weight314.11 g/mol
Exact Mass314.01
IUPAC Name2,5-difluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-methoxypyrimidine
SMILESCOc1nc(F)nc(C(F)(C(F)(F)F)C(F)(F)F)c1F
InChIInChI=1S/C8H3F9N2O/c1-20-4-2(9)3(18-5(10)19-4)6(11,7(12,13)14)8(15,16)17/h1H3
InChIKeySPMDUDBVWLFQMO-UHFFFAOYSA-N
XLogP3.05
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.11
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-2,4,6-trimethoxypyrimidine
CID 71349957
3,5-difluoro-2,6-dimethoxypyridin-4-amine
CID 170648727
5,7,8-trifluoro-2,4-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3,6-dimethoxyquinoline
CID 162536667
4,5-difluoro-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)triazine
CID 172848058
2,4-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-methoxy-1,3,5-triazine
CID 101034461
9-tert-butyl-2-fluoro-6-methoxypurine
CID 142303808
4,6-dimethoxy-2-pyrimidin-5-yl-5-(trifluoromethyl)pyrimidine
CID 178173695
5-fluoro-4,6-dimethoxy-N,N-dimethylpyrimidin-2-amine;fluoroethene
CID 143883755
2-chloro-5-fluoro-6-methoxy-N-methylpyrimidin-4-amine
CID 123251881
2,5-difluoro-3-methoxy-6-methylpyrazine
CID 23235406
5-(1,1-difluoroethyl)-2,6-dimethoxypyridin-3-amine
CID 142578199
6-fluoro-4-methoxy-5-(trifluoromethyl)-1H-pyrimidine-2-thione
CID 13391606

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-methoxypyrimidine?
The IUPAC name of 2,5-difluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-methoxypyrimidine (CID 162536445) is 2,5-difluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-methoxypyrimidine.
What is the SMILES notation for 2,5-difluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-methoxypyrimidine?
The canonical SMILES for 2,5-difluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-methoxypyrimidine is COc1nc(F)nc(C(F)(C(F)(F)F)C(F)(F)F)c1F.
What is the InChIKey of 2,5-difluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-methoxypyrimidine?
The InChIKey is SPMDUDBVWLFQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3F9N2O/c1-20-4-2(9)3(18-5(10)19-4)6(11,7(12,13)14)8(15,16)17/h1H3.
What are the key properties of 2,5-difluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-methoxypyrimidine?
2,5-difluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-methoxypyrimidine has a molecular weight of 314.11 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-methoxypyrimidine is sourced from PubChem (CID 162536445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).