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

C11F18N2 — CID 12702314

IUPAC2,4-difluoro-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yl)pyrimidine
SMILESFc1nc(F)c(C(F)(C(F)(F)F)C(F)(F)C(F)(F)F)c(C(F)(C(F)(F)F)C(F)(F)F)n1
InChIInChI=1S/C11F18N2/c12-3-1(5(14,8(18,19)20)7(16,17)11(27,28)29)2(30-4(13)31-3)6(15,9(21,22)23)10(24,25)26
InChIKeyOJGAQFNJNJNYGX-UHFFFAOYSA-N
MW502.10 g/mol
LogP5.97
Rot. Bonds3

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

2,4-difluoro-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yl)pyrimidine (PubChem CID 12702314) has the molecular formula C11F18N2 and a molecular weight of 502.10 g/mol. Its IUPAC name is 2,4-difluoro-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yl)pyrimidine.

Molecular Properties

Compound Name2,4-difluoro-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yl)pyrimidine
PubChem CID12702314
Molecular FormulaC11F18N2
Molecular Weight502.10 g/mol
Exact Mass501.98
IUPAC Name2,4-difluoro-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yl)pyrimidine
SMILESFc1nc(F)c(C(F)(C(F)(F)F)C(F)(F)C(F)(F)F)c(C(F)(C(F)(F)F)C(F)(F)F)n1
InChIInChI=1S/C11F18N2/c12-3-1(5(14,8(18,19)20)7(16,17)11(27,28)29)2(30-4(13)31-3)6(15,9(21,22)23)10(24,25)26
InChIKeyOJGAQFNJNJNYGX-UHFFFAOYSA-N
XLogP5.97
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.10
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,4-difluoro-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yl)pyrimidine with MolForge

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Related Compounds

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5-chloro-4-[chloro(difluoro)methyl]-2,6-difluoropyrimidine
CID 13026342
4,5-difluoro-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)triazine
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2,6-dibromo-3,5-difluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pyridine
CID 11123076
2-fluoro-4,6-bis(1,1,2,2,2-pentafluoroethyl)-1,3,5-triazine
CID 23233407
2,4,6-trifluoro-5-iodopyrimidine
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1,3,3,4,4-pentafluoro-2-(1,1,1,2,3,3,4,4,5,5,5-undecafluoropentan-2-yl)cyclobutene
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5-chloro-2,4,6-trifluoropyrimidine;methane
CID 162065377
1,1,1,2,2,3,3,3-octafluoropropane
CID 6432
5,7,8-trifluoro-2,4-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3,6-dimethoxyquinoline
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CID 114986666
CID 114986666

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yl)pyrimidine?
The IUPAC name of 2,4-difluoro-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yl)pyrimidine (CID 12702314) is 2,4-difluoro-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yl)pyrimidine.
What is the SMILES notation for 2,4-difluoro-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yl)pyrimidine?
The canonical SMILES for 2,4-difluoro-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yl)pyrimidine is Fc1nc(F)c(C(F)(C(F)(F)F)C(F)(F)C(F)(F)F)c(C(F)(C(F)(F)F)C(F)(F)F)n1.
What is the InChIKey of 2,4-difluoro-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yl)pyrimidine?
The InChIKey is OJGAQFNJNJNYGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11F18N2/c12-3-1(5(14,8(18,19)20)7(16,17)11(27,28)29)2(30-4(13)31-3)6(15,9(21,22)23)10(24,25)26.
What are the key properties of 2,4-difluoro-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yl)pyrimidine?
2,4-difluoro-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yl)pyrimidine has a molecular weight of 502.10 g/mol, XLogP of 5.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yl)pyrimidine is sourced from PubChem (CID 12702314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).