5-(2,2-difluoroethoxy)-2-propan-2-ylpyridine;5-(2,2-difluoroethoxy)-2-propan-2-ylpyrimidine;2-propan-2-yl-5-(2,2,2-trifluoroethoxy)pyrimidine;2-propan-2-yl-5-(trifluoromethoxy)pyridine;2-propan-2-yl-5-(trifluoromethoxy)pyrimidine

C45H55F13N8O5 — CID 165003079

IUPAC5-(2,2-difluoroethoxy)-2-propan-2-ylpyridine;5-(2,2-difluoroethoxy)-2-propan-2-ylpyrimidine;2-propan-2-yl-5-(2,2,2-trifluoroethoxy)pyrimidine;2-propan-2-yl-5-(trifluoromethoxy)pyridine;2-propan-2-yl-5-(trifluoromethoxy)pyrimidine
SMILESCC(C)c1ccc(OC(F)(F)F)cn1.CC(C)c1ccc(OCC(F)F)cn1.CC(C)c1ncc(OC(F)(F)F)cn1.CC(C)c1ncc(OCC(F)(F)F)cn1.CC(C)c1ncc(OCC(F)F)cn1
InChIInChI=1S/C10H13F2NO.C9H11F3N2O.C9H10F3NO.C9H12F2N2O.C8H9F3N2O/c1-7(2)9-4-3-8(5-13-9)14-6-10(11)12;1-6(2)8-13-3-7(4-14-8)15-5-9(10,11)12;1-6(2)8-4-3-7(5-13-8)14-9(10,11)12;1-6(2)9-12-3-7(4-13-9)14-5-8(10)11;1-5(2)7-12-3-6(4-13-7)14-8(9,10)11/h3-5,7,10H,6H2,1-2H3;3-4,6H,5H2,1-2H3;3-6H,1-2H3;3-4,6,8H,5H2,1-2H3;3-5H,1-2H3
InChIKeyINYUGJBXJCCMBK-UHFFFAOYSA-N
MW1034.96 g/mol
LogP13.24
Rot. Bonds15

About 5-(2,2-difluoroethoxy)-2-propan-2-ylpyridine;5-(2,2-difluoroethoxy)-2-propan-2-ylpyrimidine;2-propan-2-yl-5-(2,2,2-trifluoroethoxy)pyrimidine;2-propan-2-yl-5-(trifluoromethoxy)pyridine;2-propan-2-yl-5-(trifluoromethoxy)pyrimidine

5-(2,2-difluoroethoxy)-2-propan-2-ylpyridine;5-(2,2-difluoroethoxy)-2-propan-2-ylpyrimidine;2-propan-2-yl-5-(2,2,2-trifluoroethoxy)pyrimidine;2-propan-2-yl-5-(trifluoromethoxy)pyridine;2-propan-2-yl-5-(trifluoromethoxy)pyrimidine (PubChem CID 165003079) has the molecular formula C45H55F13N8O5 and a molecular weight of 1034.96 g/mol. Its IUPAC name is 5-(2,2-difluoroethoxy)-2-propan-2-ylpyridine;5-(2,2-difluoroethoxy)-2-propan-2-ylpyrimidine;2-propan-2-yl-5-(2,2,2-trifluoroethoxy)pyrimidine;2-propan-2-yl-5-(trifluoromethoxy)pyridine;2-propan-2-yl-5-(trifluoromethoxy)pyrimidine.

Molecular Properties

Compound Name5-(2,2-difluoroethoxy)-2-propan-2-ylpyridine;5-(2,2-difluoroethoxy)-2-propan-2-ylpyrimidine;2-propan-2-yl-5-(2,2,2-trifluoroethoxy)pyrimidine;2-propan-2-yl-5-(trifluoromethoxy)pyridine;2-propan-2-yl-5-(trifluoromethoxy)pyrimidine
PubChem CID165003079
Molecular FormulaC45H55F13N8O5
Molecular Weight1034.96 g/mol
Exact Mass1034.41
IUPAC Name5-(2,2-difluoroethoxy)-2-propan-2-ylpyridine;5-(2,2-difluoroethoxy)-2-propan-2-ylpyrimidine;2-propan-2-yl-5-(2,2,2-trifluoroethoxy)pyrimidine;2-propan-2-yl-5-(trifluoromethoxy)pyridine;2-propan-2-yl-5-(trifluoromethoxy)pyrimidine
SMILESCC(C)c1ccc(OC(F)(F)F)cn1.CC(C)c1ccc(OCC(F)F)cn1.CC(C)c1ncc(OC(F)(F)F)cn1.CC(C)c1ncc(OCC(F)(F)F)cn1.CC(C)c1ncc(OCC(F)F)cn1
InChIInChI=1S/C10H13F2NO.C9H11F3N2O.C9H10F3NO.C9H12F2N2O.C8H9F3N2O/c1-7(2)9-4-3-8(5-13-9)14-6-10(11)12;1-6(2)8-13-3-7(4-14-8)15-5-9(10,11)12;1-6(2)8-4-3-7(5-13-8)14-9(10,11)12;1-6(2)9-12-3-7(4-13-9)14-5-8(10)11;1-5(2)7-12-3-6(4-13-7)14-8(9,10)11/h3-5,7,10H,6H2,1-2H3;3-4,6H,5H2,1-2H3;3-6H,1-2H3;3-4,6,8H,5H2,1-2H3;3-5H,1-2H3
InChIKeyINYUGJBXJCCMBK-UHFFFAOYSA-N
XLogP13.24
TPSA149.27 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds15
Heavy Atoms71
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001034.96
LogP ≤ 513.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 5-(2,2-difluoroethoxy)-2-propan-2-ylpyridine;5-(2,2-difluoroethoxy)-2-propan-2-ylpyrimidine;2-propan-2-yl-5-(2,2,2-trifluoroethoxy)pyrimidine;2-propan-2-yl-5-(trifluoromethoxy)pyridine;2-propan-2-yl-5-(trifluoromethoxy)pyrimidine with MolForge

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Related Compounds

4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-5-(6-methyl-3-pyridinyl)pyrimidine
CID 71085908
4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-5-[(E)-2-pyridin-3-ylethenyl]pyrimidine
CID 71488707
5-(2-fluoropyridin-4-yl)-4-(((1S,2S)-2-(5-methoxypyridin-2-yl)cyclopropyl)methoxy)-2-methylpyrimidine
CID 76280988
2,2,2-trifluoro-1-(5-(4-(((1S,2S)-2-(5-methoxypyridin-2-yl)cyclopropyl)methoxy)-2-methylpyrimidin-5-yl)pyridin-2-yl)ethanol (R or S)
CID 76283269
2,2-difluoro-1-(5-(4-(((1S,2S)-2-(5-methoxypyridin-2-yl)cyclopropyl)methoxy)-2-methylpyrimidin-5-yl)pyridin-2-yl)ethanol (R or S)
CID 76283764
4-[1-[6-(5-Methoxy-3-pyridinyl)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-4-yl]morpholine
CID 155540693
(3S)-4-[7-(5-methoxy-3-pyridinyl)-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine
CID 59703526
(3S)-4-[7-(2-methoxy-4-pyridinyl)-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine
CID 59703530
5-[2-Cyclopropyl-6-[1-(2-methoxyethyl)piperidin-4-yl]pyrimidin-4-yl]-3-(difluoromethoxy)pyridin-2-amine
CID 117688773
5-(6-ethylpyridin-3-yl)-4-(((1S,2S)-2-(5-methoxypyridin-2-yl)cyclopropyl)methoxy)-2-methylpyrimidine
CID 76283270
2-methyl-N-[4-[6-methyl-5-[(5-methyl-2-pyridinyl)oxy]-3-pyridinyl]-2-pyridinyl]pyrimidin-4-amine
CID 118249298
2-methyl-N-[4-(6-methyl-5-phenoxy-3-pyridinyl)-2-pyridinyl]pyrimidin-4-amine
CID 118249310

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-difluoroethoxy)-2-propan-2-ylpyridine;5-(2,2-difluoroethoxy)-2-propan-2-ylpyrimidine;2-propan-2-yl-5-(2,2,2-trifluoroethoxy)pyrimidine;2-propan-2-yl-5-(trifluoromethoxy)pyridine;2-propan-2-yl-5-(trifluoromethoxy)pyrimidine?
The IUPAC name of 5-(2,2-difluoroethoxy)-2-propan-2-ylpyridine;5-(2,2-difluoroethoxy)-2-propan-2-ylpyrimidine;2-propan-2-yl-5-(2,2,2-trifluoroethoxy)pyrimidine;2-propan-2-yl-5-(trifluoromethoxy)pyridine;2-propan-2-yl-5-(trifluoromethoxy)pyrimidine (CID 165003079) is 5-(2,2-difluoroethoxy)-2-propan-2-ylpyridine;5-(2,2-difluoroethoxy)-2-propan-2-ylpyrimidine;2-propan-2-yl-5-(2,2,2-trifluoroethoxy)pyrimidine;2-propan-2-yl-5-(trifluoromethoxy)pyridine;2-propan-2-yl-5-(trifluoromethoxy)pyrimidine.
What is the SMILES notation for 5-(2,2-difluoroethoxy)-2-propan-2-ylpyridine;5-(2,2-difluoroethoxy)-2-propan-2-ylpyrimidine;2-propan-2-yl-5-(2,2,2-trifluoroethoxy)pyrimidine;2-propan-2-yl-5-(trifluoromethoxy)pyridine;2-propan-2-yl-5-(trifluoromethoxy)pyrimidine?
The canonical SMILES for 5-(2,2-difluoroethoxy)-2-propan-2-ylpyridine;5-(2,2-difluoroethoxy)-2-propan-2-ylpyrimidine;2-propan-2-yl-5-(2,2,2-trifluoroethoxy)pyrimidine;2-propan-2-yl-5-(trifluoromethoxy)pyridine;2-propan-2-yl-5-(trifluoromethoxy)pyrimidine is CC(C)c1ccc(OC(F)(F)F)cn1.CC(C)c1ccc(OCC(F)F)cn1.CC(C)c1ncc(OC(F)(F)F)cn1.CC(C)c1ncc(OCC(F)(F)F)cn1.CC(C)c1ncc(OCC(F)F)cn1.
What is the InChIKey of 5-(2,2-difluoroethoxy)-2-propan-2-ylpyridine;5-(2,2-difluoroethoxy)-2-propan-2-ylpyrimidine;2-propan-2-yl-5-(2,2,2-trifluoroethoxy)pyrimidine;2-propan-2-yl-5-(trifluoromethoxy)pyridine;2-propan-2-yl-5-(trifluoromethoxy)pyrimidine?
The InChIKey is INYUGJBXJCCMBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO.C9H11F3N2O.C9H10F3NO.C9H12F2N2O.C8H9F3N2O/c1-7(2)9-4-3-8(5-13-9)14-6-10(11)12;1-6(2)8-13-3-7(4-14-8)15-5-9(10,11)12;1-6(2)8-4-3-7(5-13-8)14-9(10,11)12;1-6(2)9-12-3-7(4-13-9)14-5-8(10)11;1-5(2)7-12-3-6(4-13-7)14-8(9,10)11/h3-5,7,10H,6H2,1-2H3;3-4,6H,5H2,1-2H3;3-6H,1-2H3;3-4,6,8H,5H2,1-2H3;3-5H,1-2H3.
What are the key properties of 5-(2,2-difluoroethoxy)-2-propan-2-ylpyridine;5-(2,2-difluoroethoxy)-2-propan-2-ylpyrimidine;2-propan-2-yl-5-(2,2,2-trifluoroethoxy)pyrimidine;2-propan-2-yl-5-(trifluoromethoxy)pyridine;2-propan-2-yl-5-(trifluoromethoxy)pyrimidine?
5-(2,2-difluoroethoxy)-2-propan-2-ylpyridine;5-(2,2-difluoroethoxy)-2-propan-2-ylpyrimidine;2-propan-2-yl-5-(2,2,2-trifluoroethoxy)pyrimidine;2-propan-2-yl-5-(trifluoromethoxy)pyridine;2-propan-2-yl-5-(trifluoromethoxy)pyrimidine has a molecular weight of 1034.96 g/mol, XLogP of 13.24, 15 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-difluoroethoxy)-2-propan-2-ylpyridine;5-(2,2-difluoroethoxy)-2-propan-2-ylpyrimidine;2-propan-2-yl-5-(2,2,2-trifluoroethoxy)pyrimidine;2-propan-2-yl-5-(trifluoromethoxy)pyridine;2-propan-2-yl-5-(trifluoromethoxy)pyrimidine is sourced from PubChem (CID 165003079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).