1-methyl-2-methylidene-4-(3,3,4,4,4-pentafluorobutyl)pyrimidine

C10H11F5N2 — CID 167172118

IUPAC1-methyl-2-methylidene-4-(3,3,4,4,4-pentafluorobutyl)pyrimidine
SMILESC=C1N=C(CCC(F)(F)C(F)(F)F)C=CN1C
InChIInChI=1S/C10H11F5N2/c1-7-16-8(4-6-17(7)2)3-5-9(11,12)10(13,14)15/h4,6H,1,3,5H2,2H3
InChIKeyOKHIPGXNDBPRKT-UHFFFAOYSA-N
MW254.20 g/mol
LogP3.34
Rot. Bonds3

About 1-methyl-2-methylidene-4-(3,3,4,4,4-pentafluorobutyl)pyrimidine

1-methyl-2-methylidene-4-(3,3,4,4,4-pentafluorobutyl)pyrimidine (PubChem CID 167172118) has the molecular formula C10H11F5N2 and a molecular weight of 254.20 g/mol. Its IUPAC name is 1-methyl-2-methylidene-4-(3,3,4,4,4-pentafluorobutyl)pyrimidine.

Molecular Properties

Compound Name1-methyl-2-methylidene-4-(3,3,4,4,4-pentafluorobutyl)pyrimidine
PubChem CID167172118
Molecular FormulaC10H11F5N2
Molecular Weight254.20 g/mol
Exact Mass254.08
IUPAC Name1-methyl-2-methylidene-4-(3,3,4,4,4-pentafluorobutyl)pyrimidine
SMILESC=C1N=C(CCC(F)(F)C(F)(F)F)C=CN1C
InChIInChI=1S/C10H11F5N2/c1-7-16-8(4-6-17(7)2)3-5-9(11,12)10(13,14)15/h4,6H,1,3,5H2,2H3
InChIKeyOKHIPGXNDBPRKT-UHFFFAOYSA-N
XLogP3.34
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.20
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-methylidene-4-(3,3,4,4,4-pentafluorobutyl)pyrimidine?
The IUPAC name of 1-methyl-2-methylidene-4-(3,3,4,4,4-pentafluorobutyl)pyrimidine (CID 167172118) is 1-methyl-2-methylidene-4-(3,3,4,4,4-pentafluorobutyl)pyrimidine.
What is the SMILES notation for 1-methyl-2-methylidene-4-(3,3,4,4,4-pentafluorobutyl)pyrimidine?
The canonical SMILES for 1-methyl-2-methylidene-4-(3,3,4,4,4-pentafluorobutyl)pyrimidine is C=C1N=C(CCC(F)(F)C(F)(F)F)C=CN1C.
What is the InChIKey of 1-methyl-2-methylidene-4-(3,3,4,4,4-pentafluorobutyl)pyrimidine?
The InChIKey is OKHIPGXNDBPRKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F5N2/c1-7-16-8(4-6-17(7)2)3-5-9(11,12)10(13,14)15/h4,6H,1,3,5H2,2H3.
What are the key properties of 1-methyl-2-methylidene-4-(3,3,4,4,4-pentafluorobutyl)pyrimidine?
1-methyl-2-methylidene-4-(3,3,4,4,4-pentafluorobutyl)pyrimidine has a molecular weight of 254.20 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-methylidene-4-(3,3,4,4,4-pentafluorobutyl)pyrimidine is sourced from PubChem (CID 167172118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).