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-[(Z)-3,3,3-trifluoroprop-1-enoxy]pyridine;2-propan-2-yl-5-[(Z)-3,3,3-trifluoroprop-1-enoxy]pyrimidine

C49H59F13N8O5 — CID 164990382

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-[(Z)-3,3,3-trifluoroprop-1-enoxy]pyridine;2-propan-2-yl-5-[(Z)-3,3,3-trifluoroprop-1-enoxy]pyrimidine
SMILESCC(C)c1ccc(O/C=C\C(F)(F)F)cn1.CC(C)c1ccc(OCC(F)F)cn1.CC(C)c1ncc(O/C=C\C(F)(F)F)cn1.CC(C)c1ncc(OCC(F)(F)F)cn1.CC(C)c1ncc(OCC(F)F)cn1
InChIInChI=1S/C11H12F3NO.C10H11F3N2O.C10H13F2NO.C9H11F3N2O.C9H12F2N2O/c1-8(2)10-4-3-9(7-15-10)16-6-5-11(12,13)14;1-7(2)9-14-5-8(6-15-9)16-4-3-10(11,12)13;1-7(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)9-12-3-7(4-13-9)14-5-8(10)11/h3-8H,1-2H3;3-7H,1-2H3;3-5,7,10H,6H2,1-2H3;3-4,6H,5H2,1-2H3;3-4,6,8H,5H2,1-2H3/b6-5-;4-3-;;;
InChIKeyGTOVGCDIQQLAHV-ZLLCYXHSSA-N
MW1087.04 g/mol
LogP14.35
Rot. Bonds17

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-[(Z)-3,3,3-trifluoroprop-1-enoxy]pyridine;2-propan-2-yl-5-[(Z)-3,3,3-trifluoroprop-1-enoxy]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-[(Z)-3,3,3-trifluoroprop-1-enoxy]pyridine;2-propan-2-yl-5-[(Z)-3,3,3-trifluoroprop-1-enoxy]pyrimidine (PubChem CID 164990382) has the molecular formula C49H59F13N8O5 and a molecular weight of 1087.04 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-[(Z)-3,3,3-trifluoroprop-1-enoxy]pyridine;2-propan-2-yl-5-[(Z)-3,3,3-trifluoroprop-1-enoxy]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-[(Z)-3,3,3-trifluoroprop-1-enoxy]pyridine;2-propan-2-yl-5-[(Z)-3,3,3-trifluoroprop-1-enoxy]pyrimidine
PubChem CID164990382
Molecular FormulaC49H59F13N8O5
Molecular Weight1087.04 g/mol
Exact Mass1086.44
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-[(Z)-3,3,3-trifluoroprop-1-enoxy]pyridine;2-propan-2-yl-5-[(Z)-3,3,3-trifluoroprop-1-enoxy]pyrimidine
SMILESCC(C)c1ccc(O/C=C\C(F)(F)F)cn1.CC(C)c1ccc(OCC(F)F)cn1.CC(C)c1ncc(O/C=C\C(F)(F)F)cn1.CC(C)c1ncc(OCC(F)(F)F)cn1.CC(C)c1ncc(OCC(F)F)cn1
InChIInChI=1S/C11H12F3NO.C10H11F3N2O.C10H13F2NO.C9H11F3N2O.C9H12F2N2O/c1-8(2)10-4-3-9(7-15-10)16-6-5-11(12,13)14;1-7(2)9-14-5-8(6-15-9)16-4-3-10(11,12)13;1-7(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)9-12-3-7(4-13-9)14-5-8(10)11/h3-8H,1-2H3;3-7H,1-2H3;3-5,7,10H,6H2,1-2H3;3-4,6H,5H2,1-2H3;3-4,6,8H,5H2,1-2H3/b6-5-;4-3-;;;
InChIKeyGTOVGCDIQQLAHV-ZLLCYXHSSA-N
XLogP14.35
TPSA149.27 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds17
Heavy Atoms75
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001087.04
LogP ≤ 514.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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-[(Z)-3,3,3-trifluoroprop-1-enoxy]pyridine;2-propan-2-yl-5-[(Z)-3,3,3-trifluoroprop-1-enoxy]pyrimidine with MolForge

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Launch Full Analysis

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-[(Z)-3,3,3-trifluoroprop-1-enoxy]pyridine;2-propan-2-yl-5-[(Z)-3,3,3-trifluoroprop-1-enoxy]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-[(Z)-3,3,3-trifluoroprop-1-enoxy]pyridine;2-propan-2-yl-5-[(Z)-3,3,3-trifluoroprop-1-enoxy]pyrimidine (CID 164990382) 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-[(Z)-3,3,3-trifluoroprop-1-enoxy]pyridine;2-propan-2-yl-5-[(Z)-3,3,3-trifluoroprop-1-enoxy]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-[(Z)-3,3,3-trifluoroprop-1-enoxy]pyridine;2-propan-2-yl-5-[(Z)-3,3,3-trifluoroprop-1-enoxy]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-[(Z)-3,3,3-trifluoroprop-1-enoxy]pyridine;2-propan-2-yl-5-[(Z)-3,3,3-trifluoroprop-1-enoxy]pyrimidine is CC(C)c1ccc(O/C=C\C(F)(F)F)cn1.CC(C)c1ccc(OCC(F)F)cn1.CC(C)c1ncc(O/C=C\C(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-[(Z)-3,3,3-trifluoroprop-1-enoxy]pyridine;2-propan-2-yl-5-[(Z)-3,3,3-trifluoroprop-1-enoxy]pyrimidine?
The InChIKey is GTOVGCDIQQLAHV-ZLLCYXHSSA-N. The full InChI is InChI=1S/C11H12F3NO.C10H11F3N2O.C10H13F2NO.C9H11F3N2O.C9H12F2N2O/c1-8(2)10-4-3-9(7-15-10)16-6-5-11(12,13)14;1-7(2)9-14-5-8(6-15-9)16-4-3-10(11,12)13;1-7(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)9-12-3-7(4-13-9)14-5-8(10)11/h3-8H,1-2H3;3-7H,1-2H3;3-5,7,10H,6H2,1-2H3;3-4,6H,5H2,1-2H3;3-4,6,8H,5H2,1-2H3/b6-5-;4-3-;;;.
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-[(Z)-3,3,3-trifluoroprop-1-enoxy]pyridine;2-propan-2-yl-5-[(Z)-3,3,3-trifluoroprop-1-enoxy]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-[(Z)-3,3,3-trifluoroprop-1-enoxy]pyridine;2-propan-2-yl-5-[(Z)-3,3,3-trifluoroprop-1-enoxy]pyrimidine has a molecular weight of 1087.04 g/mol, XLogP of 14.35, 17 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-[(Z)-3,3,3-trifluoroprop-1-enoxy]pyridine;2-propan-2-yl-5-[(Z)-3,3,3-trifluoroprop-1-enoxy]pyrimidine is sourced from PubChem (CID 164990382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).