4-(2,2-difluoroethoxy)-2-propan-2-ylpyrimidine

C9H12F2N2O — CID 164735007

IUPAC4-(2,2-difluoroethoxy)-2-propan-2-ylpyrimidine
SMILESCC(C)c1nccc(OCC(F)F)n1
InChIInChI=1S/C9H12F2N2O/c1-6(2)9-12-4-3-8(13-9)14-5-7(10)11/h3-4,6-7H,5H2,1-2H3
InChIKeyCEGPSOJKVSRGJX-UHFFFAOYSA-N
MW202.20 g/mol
LogP2.24
Rot. Bonds4

About 4-(2,2-difluoroethoxy)-2-propan-2-ylpyrimidine

4-(2,2-difluoroethoxy)-2-propan-2-ylpyrimidine (PubChem CID 164735007) has the molecular formula C9H12F2N2O and a molecular weight of 202.20 g/mol. Its IUPAC name is 4-(2,2-difluoroethoxy)-2-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4-(2,2-difluoroethoxy)-2-propan-2-ylpyrimidine
PubChem CID164735007
Molecular FormulaC9H12F2N2O
Molecular Weight202.20 g/mol
Exact Mass202.09
IUPAC Name4-(2,2-difluoroethoxy)-2-propan-2-ylpyrimidine
SMILESCC(C)c1nccc(OCC(F)F)n1
InChIInChI=1S/C9H12F2N2O/c1-6(2)9-12-4-3-8(13-9)14-5-7(10)11/h3-4,6-7H,5H2,1-2H3
InChIKeyCEGPSOJKVSRGJX-UHFFFAOYSA-N
XLogP2.24
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.20
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoroethoxy)-2-propan-2-ylpyrimidine?
The IUPAC name of 4-(2,2-difluoroethoxy)-2-propan-2-ylpyrimidine (CID 164735007) is 4-(2,2-difluoroethoxy)-2-propan-2-ylpyrimidine.
What is the SMILES notation for 4-(2,2-difluoroethoxy)-2-propan-2-ylpyrimidine?
The canonical SMILES for 4-(2,2-difluoroethoxy)-2-propan-2-ylpyrimidine is CC(C)c1nccc(OCC(F)F)n1.
What is the InChIKey of 4-(2,2-difluoroethoxy)-2-propan-2-ylpyrimidine?
The InChIKey is CEGPSOJKVSRGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N2O/c1-6(2)9-12-4-3-8(13-9)14-5-7(10)11/h3-4,6-7H,5H2,1-2H3.
What are the key properties of 4-(2,2-difluoroethoxy)-2-propan-2-ylpyrimidine?
4-(2,2-difluoroethoxy)-2-propan-2-ylpyrimidine has a molecular weight of 202.20 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoroethoxy)-2-propan-2-ylpyrimidine is sourced from PubChem (CID 164735007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).