4,6-dichloro-5-propyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine

C11H12Cl2F4N2O — CID 103473554

IUPAC4,6-dichloro-5-propyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine
SMILESCCCc1c(Cl)nc(COCC(F)(F)C(F)F)nc1Cl
InChIInChI=1S/C11H12Cl2F4N2O/c1-2-3-6-8(12)18-7(19-9(6)13)4-20-5-11(16,17)10(14)15/h10H,2-5H2,1H3
InChIKeyYNAFRQXXWDAYGL-UHFFFAOYSA-N
MW335.13 g/mol
LogP4.15
Rot. Bonds7

About 4,6-dichloro-5-propyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine

4,6-dichloro-5-propyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine (PubChem CID 103473554) has the molecular formula C11H12Cl2F4N2O and a molecular weight of 335.13 g/mol. Its IUPAC name is 4,6-dichloro-5-propyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine.

Molecular Properties

Compound Name4,6-dichloro-5-propyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine
PubChem CID103473554
Molecular FormulaC11H12Cl2F4N2O
Molecular Weight335.13 g/mol
Exact Mass334.03
IUPAC Name4,6-dichloro-5-propyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine
SMILESCCCc1c(Cl)nc(COCC(F)(F)C(F)F)nc1Cl
InChIInChI=1S/C11H12Cl2F4N2O/c1-2-3-6-8(12)18-7(19-9(6)13)4-20-5-11(16,17)10(14)15/h10H,2-5H2,1H3
InChIKeyYNAFRQXXWDAYGL-UHFFFAOYSA-N
XLogP4.15
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.13
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-5-iodo-6-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine
CID 103473568
4-chloro-5-iodo-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine
CID 103473589
4-chloro-2-(2,2,3,3-tetrafluoropropoxymethyl)-5,6,7,8-tetrahydroquinazoline
CID 103473539
4,6-dichloro-5-propyl-2-(3,3,3-trifluoropropyl)pyrimidine
CID 79952984
4-propyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole
CID 103477033
4-propyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine-5-carboxylic acid
CID 103476099
5-bromo-6-propan-2-yl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-4-amine
CID 103476292
5-iodo-N,6-dimethyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-4-amine
CID 103476257
2-butyl-4,6-dichloro-5-propylpyrimidine
CID 79404356
4-chloro-6-cyclopentyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine
CID 103473601
5-bromo-4-propyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidin-6-one
CID 136890432
6-tert-butyl-N-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-4-amine
CID 103476186

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-5-propyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine?
The IUPAC name of 4,6-dichloro-5-propyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine (CID 103473554) is 4,6-dichloro-5-propyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine.
What is the SMILES notation for 4,6-dichloro-5-propyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine?
The canonical SMILES for 4,6-dichloro-5-propyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine is CCCc1c(Cl)nc(COCC(F)(F)C(F)F)nc1Cl.
What is the InChIKey of 4,6-dichloro-5-propyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine?
The InChIKey is YNAFRQXXWDAYGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2F4N2O/c1-2-3-6-8(12)18-7(19-9(6)13)4-20-5-11(16,17)10(14)15/h10H,2-5H2,1H3.
What are the key properties of 4,6-dichloro-5-propyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine?
4,6-dichloro-5-propyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine has a molecular weight of 335.13 g/mol, XLogP of 4.15, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-5-propyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine is sourced from PubChem (CID 103473554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).