2-tert-butyl-4-(1,1-difluoroethyl)pyrimidine

C10H14F2N2 — CID 58305895

IUPAC2-tert-butyl-4-(1,1-difluoroethyl)pyrimidine
SMILESCC(C)(C)c1nccc(C(C)(F)F)n1
InChIInChI=1S/C10H14F2N2/c1-9(2,3)8-13-6-5-7(14-8)10(4,11)12/h5-6H,1-4H3
InChIKeyIBKANUQMQHCHMR-UHFFFAOYSA-N
MW200.23 g/mol
LogP2.89
Rot. Bonds1

About 2-tert-butyl-4-(1,1-difluoroethyl)pyrimidine

2-tert-butyl-4-(1,1-difluoroethyl)pyrimidine (PubChem CID 58305895) has the molecular formula C10H14F2N2 and a molecular weight of 200.23 g/mol. Its IUPAC name is 2-tert-butyl-4-(1,1-difluoroethyl)pyrimidine.

Molecular Properties

Compound Name2-tert-butyl-4-(1,1-difluoroethyl)pyrimidine
PubChem CID58305895
Molecular FormulaC10H14F2N2
Molecular Weight200.23 g/mol
Exact Mass200.11
IUPAC Name2-tert-butyl-4-(1,1-difluoroethyl)pyrimidine
SMILESCC(C)(C)c1nccc(C(C)(F)F)n1
InChIInChI=1S/C10H14F2N2/c1-9(2,3)8-13-6-5-7(14-8)10(4,11)12/h5-6H,1-4H3
InChIKeyIBKANUQMQHCHMR-UHFFFAOYSA-N
XLogP2.89
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-(1,1-difluoroethyl)pyrimidine?
The IUPAC name of 2-tert-butyl-4-(1,1-difluoroethyl)pyrimidine (CID 58305895) is 2-tert-butyl-4-(1,1-difluoroethyl)pyrimidine.
What is the SMILES notation for 2-tert-butyl-4-(1,1-difluoroethyl)pyrimidine?
The canonical SMILES for 2-tert-butyl-4-(1,1-difluoroethyl)pyrimidine is CC(C)(C)c1nccc(C(C)(F)F)n1.
What is the InChIKey of 2-tert-butyl-4-(1,1-difluoroethyl)pyrimidine?
The InChIKey is IBKANUQMQHCHMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2/c1-9(2,3)8-13-6-5-7(14-8)10(4,11)12/h5-6H,1-4H3.
What are the key properties of 2-tert-butyl-4-(1,1-difluoroethyl)pyrimidine?
2-tert-butyl-4-(1,1-difluoroethyl)pyrimidine has a molecular weight of 200.23 g/mol, XLogP of 2.89, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-(1,1-difluoroethyl)pyrimidine is sourced from PubChem (CID 58305895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).