5-bromo-4-chloro-6-propan-2-yl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine

C11H12BrClF4N2O — CID 103473580

IUPAC5-bromo-4-chloro-6-propan-2-yl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine
SMILESCC(C)c1nc(COCC(F)(F)C(F)F)nc(Cl)c1Br
InChIInChI=1S/C11H12BrClF4N2O/c1-5(2)8-7(12)9(13)19-6(18-8)3-20-4-11(16,17)10(14)15/h5,10H,3-4H2,1-2H3
InChIKeyHELJEYUPINNTAA-UHFFFAOYSA-N
MW379.58 g/mol
LogP4.43
Rot. Bonds6

About 5-bromo-4-chloro-6-propan-2-yl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine

5-bromo-4-chloro-6-propan-2-yl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine (PubChem CID 103473580) has the molecular formula C11H12BrClF4N2O and a molecular weight of 379.58 g/mol. Its IUPAC name is 5-bromo-4-chloro-6-propan-2-yl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine.

Molecular Properties

Compound Name5-bromo-4-chloro-6-propan-2-yl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine
PubChem CID103473580
Molecular FormulaC11H12BrClF4N2O
Molecular Weight379.58 g/mol
Exact Mass377.98
IUPAC Name5-bromo-4-chloro-6-propan-2-yl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine
SMILESCC(C)c1nc(COCC(F)(F)C(F)F)nc(Cl)c1Br
InChIInChI=1S/C11H12BrClF4N2O/c1-5(2)8-7(12)9(13)19-6(18-8)3-20-4-11(16,17)10(14)15/h5,10H,3-4H2,1-2H3
InChIKeyHELJEYUPINNTAA-UHFFFAOYSA-N
XLogP4.43
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.58
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 5-bromo-4-chloro-6-propan-2-yl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine?
The IUPAC name of 5-bromo-4-chloro-6-propan-2-yl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine (CID 103473580) is 5-bromo-4-chloro-6-propan-2-yl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine.
What is the SMILES notation for 5-bromo-4-chloro-6-propan-2-yl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine?
The canonical SMILES for 5-bromo-4-chloro-6-propan-2-yl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine is CC(C)c1nc(COCC(F)(F)C(F)F)nc(Cl)c1Br.
What is the InChIKey of 5-bromo-4-chloro-6-propan-2-yl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine?
The InChIKey is HELJEYUPINNTAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrClF4N2O/c1-5(2)8-7(12)9(13)19-6(18-8)3-20-4-11(16,17)10(14)15/h5,10H,3-4H2,1-2H3.
What are the key properties of 5-bromo-4-chloro-6-propan-2-yl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine?
5-bromo-4-chloro-6-propan-2-yl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine has a molecular weight of 379.58 g/mol, XLogP of 4.43, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-6-propan-2-yl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine is sourced from PubChem (CID 103473580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).