2-tert-butyl-4-chloro-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidine

C11H14ClF3N2O — CID 80948282

IUPAC2-tert-butyl-4-chloro-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidine
SMILESCC(Oc1cc(Cl)nc(C(C)(C)C)n1)C(F)(F)F
InChIInChI=1S/C11H14ClF3N2O/c1-6(11(13,14)15)18-8-5-7(12)16-9(17-8)10(2,3)4/h5-6H,1-4H3
InChIKeyXKVIPEAENYKDKF-UHFFFAOYSA-N
MW282.69 g/mol
LogP3.76
Rot. Bonds2

About 2-tert-butyl-4-chloro-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidine

2-tert-butyl-4-chloro-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidine (PubChem CID 80948282) has the molecular formula C11H14ClF3N2O and a molecular weight of 282.69 g/mol. Its IUPAC name is 2-tert-butyl-4-chloro-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidine.

Molecular Properties

Compound Name2-tert-butyl-4-chloro-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidine
PubChem CID80948282
Molecular FormulaC11H14ClF3N2O
Molecular Weight282.69 g/mol
Exact Mass282.07
IUPAC Name2-tert-butyl-4-chloro-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidine
SMILESCC(Oc1cc(Cl)nc(C(C)(C)C)n1)C(F)(F)F
InChIInChI=1S/C11H14ClF3N2O/c1-6(11(13,14)15)18-8-5-7(12)16-9(17-8)10(2,3)4/h5-6H,1-4H3
InChIKeyXKVIPEAENYKDKF-UHFFFAOYSA-N
XLogP3.76
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.69
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-tert-butyl-4-chloro-6-propan-2-yloxypyrimidine
CID 80949300
4-chloro-2-methyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidine
CID 66277825
4-chloro-2-ethyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidine
CID 80943695
2-tert-butyl-4-but-3-yn-2-yloxy-6-chloropyrimidine
CID 106794758
2-tert-butyl-4-chloro-6-(1-methoxypropan-2-yloxy)pyrimidine
CID 80948473
2-tert-butyl-4-chloro-6-(5-fluoro-2-methylphenoxy)pyrimidine
CID 102981534
5-(2-tert-butyl-6-chloropyrimidin-4-yl)oxypentan-1-ol
CID 114216648
2-tert-butyl-4-chloro-6-(4-chlorophenoxy)pyrimidine
CID 80949039
2-tert-butyl-4-chloro-6-(2-fluorophenoxy)pyrimidine
CID 80948165
4-chloro-2-(1,1-difluoroethyl)-6-ethoxypyrimidine
CID 170577812
2-tert-butyl-4-chloro-6-(3-fluoro-4-methylphenoxy)pyrimidine
CID 107169197
4-(trifluoromethyl)-6-(1,1,1-trifluoropropan-2-yloxy)pyridin-2-amine
CID 102720032

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-chloro-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidine?
The IUPAC name of 2-tert-butyl-4-chloro-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidine (CID 80948282) is 2-tert-butyl-4-chloro-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidine.
What is the SMILES notation for 2-tert-butyl-4-chloro-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidine?
The canonical SMILES for 2-tert-butyl-4-chloro-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidine is CC(Oc1cc(Cl)nc(C(C)(C)C)n1)C(F)(F)F.
What is the InChIKey of 2-tert-butyl-4-chloro-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidine?
The InChIKey is XKVIPEAENYKDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClF3N2O/c1-6(11(13,14)15)18-8-5-7(12)16-9(17-8)10(2,3)4/h5-6H,1-4H3.
What are the key properties of 2-tert-butyl-4-chloro-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidine?
2-tert-butyl-4-chloro-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidine has a molecular weight of 282.69 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-chloro-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidine is sourced from PubChem (CID 80948282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).