5-(2,2-difluoroethoxy)-2-propan-2-ylpyrimidine

C9H12F2N2O — CID 155116697

IUPAC5-(2,2-difluoroethoxy)-2-propan-2-ylpyrimidine
SMILESCC(C)c1ncc(OCC(F)F)cn1
InChIInChI=1S/C9H12F2N2O/c1-6(2)9-12-3-7(4-13-9)14-5-8(10)11/h3-4,6,8H,5H2,1-2H3
InChIKeyTWTGBPHASITUQN-UHFFFAOYSA-N
MW202.20 g/mol
LogP2.24
Rot. Bonds4

About 5-(2,2-difluoroethoxy)-2-propan-2-ylpyrimidine

5-(2,2-difluoroethoxy)-2-propan-2-ylpyrimidine (PubChem CID 155116697) has the molecular formula C9H12F2N2O and a molecular weight of 202.20 g/mol. Its IUPAC name is 5-(2,2-difluoroethoxy)-2-propan-2-ylpyrimidine.

Molecular Properties

Compound Name5-(2,2-difluoroethoxy)-2-propan-2-ylpyrimidine
PubChem CID155116697
Molecular FormulaC9H12F2N2O
Molecular Weight202.20 g/mol
Exact Mass202.09
IUPAC Name5-(2,2-difluoroethoxy)-2-propan-2-ylpyrimidine
SMILESCC(C)c1ncc(OCC(F)F)cn1
InChIInChI=1S/C9H12F2N2O/c1-6(2)9-12-3-7(4-13-9)14-5-8(10)11/h3-4,6,8H,5H2,1-2H3
InChIKeyTWTGBPHASITUQN-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 5-(2,2-difluoroethoxy)-2-propan-2-ylpyrimidine?
The IUPAC name of 5-(2,2-difluoroethoxy)-2-propan-2-ylpyrimidine (CID 155116697) is 5-(2,2-difluoroethoxy)-2-propan-2-ylpyrimidine.
What is the SMILES notation for 5-(2,2-difluoroethoxy)-2-propan-2-ylpyrimidine?
The canonical SMILES for 5-(2,2-difluoroethoxy)-2-propan-2-ylpyrimidine is CC(C)c1ncc(OCC(F)F)cn1.
What is the InChIKey of 5-(2,2-difluoroethoxy)-2-propan-2-ylpyrimidine?
The InChIKey is TWTGBPHASITUQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N2O/c1-6(2)9-12-3-7(4-13-9)14-5-8(10)11/h3-4,6,8H,5H2,1-2H3.
What are the key properties of 5-(2,2-difluoroethoxy)-2-propan-2-ylpyrimidine?
5-(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 5-(2,2-difluoroethoxy)-2-propan-2-ylpyrimidine is sourced from PubChem (CID 155116697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).