4-(difluoromethyl)-2-methylidene-5-propan-2-yl-1H-pyridine;4-(difluoromethyl)-1-methyl-5-propan-2-ylpyridin-2-one;methane;2-methylidene-5-propan-2-yl-4-(trifluoromethyl)-1H-pyridine;1-methyl-2-methylidene-5-propan-2-yl-4-(trifluoromethyl)pyridine

C42H56F10N4O — CID 158430597

IUPAC4-(difluoromethyl)-2-methylidene-5-propan-2-yl-1H-pyridine;4-(difluoromethyl)-1-methyl-5-propan-2-ylpyridin-2-one;methane;2-methylidene-5-propan-2-yl-4-(trifluoromethyl)-1H-pyridine;1-methyl-2-methylidene-5-propan-2-yl-4-(trifluoromethyl)pyridine
SMILESC.C=C1C=C(C(F)(F)F)C(C(C)C)=CN1.C=C1C=C(C(F)(F)F)C(C(C)C)=CN1C.C=C1C=C(C(F)F)C(C(C)C)=CN1.CC(C)c1cn(C)c(=O)cc1C(F)F
InChIInChI=1S/C11H14F3N.C10H12F3N.C10H13F2NO.C10H13F2N.CH4/c1-7(2)9-6-15(4)8(3)5-10(9)11(12,13)14;1-6(2)8-5-14-7(3)4-9(8)10(11,12)13;1-6(2)8-5-13(3)9(14)4-7(8)10(11)12;1-6(2)9-5-13-7(3)4-8(9)10(11)12;/h5-7H,3H2,1-2,4H3;4-6,14H,3H2,1-2H3;4-6,10H,1-3H3;4-6,10,13H,3H2,1-2H3;1H4
InChIKeyHBPMYSYONDXXEA-UHFFFAOYSA-N
MW822.92 g/mol
LogP12.52
Rot. Bonds6

About 4-(difluoromethyl)-2-methylidene-5-propan-2-yl-1H-pyridine;4-(difluoromethyl)-1-methyl-5-propan-2-ylpyridin-2-one;methane;2-methylidene-5-propan-2-yl-4-(trifluoromethyl)-1H-pyridine;1-methyl-2-methylidene-5-propan-2-yl-4-(trifluoromethyl)pyridine

4-(difluoromethyl)-2-methylidene-5-propan-2-yl-1H-pyridine;4-(difluoromethyl)-1-methyl-5-propan-2-ylpyridin-2-one;methane;2-methylidene-5-propan-2-yl-4-(trifluoromethyl)-1H-pyridine;1-methyl-2-methylidene-5-propan-2-yl-4-(trifluoromethyl)pyridine (PubChem CID 158430597) has the molecular formula C42H56F10N4O and a molecular weight of 822.92 g/mol. Its IUPAC name is 4-(difluoromethyl)-2-methylidene-5-propan-2-yl-1H-pyridine;4-(difluoromethyl)-1-methyl-5-propan-2-ylpyridin-2-one;methane;2-methylidene-5-propan-2-yl-4-(trifluoromethyl)-1H-pyridine;1-methyl-2-methylidene-5-propan-2-yl-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name4-(difluoromethyl)-2-methylidene-5-propan-2-yl-1H-pyridine;4-(difluoromethyl)-1-methyl-5-propan-2-ylpyridin-2-one;methane;2-methylidene-5-propan-2-yl-4-(trifluoromethyl)-1H-pyridine;1-methyl-2-methylidene-5-propan-2-yl-4-(trifluoromethyl)pyridine
PubChem CID158430597
Molecular FormulaC42H56F10N4O
Molecular Weight822.92 g/mol
Exact Mass822.43
IUPAC Name4-(difluoromethyl)-2-methylidene-5-propan-2-yl-1H-pyridine;4-(difluoromethyl)-1-methyl-5-propan-2-ylpyridin-2-one;methane;2-methylidene-5-propan-2-yl-4-(trifluoromethyl)-1H-pyridine;1-methyl-2-methylidene-5-propan-2-yl-4-(trifluoromethyl)pyridine
SMILESC.C=C1C=C(C(F)(F)F)C(C(C)C)=CN1.C=C1C=C(C(F)(F)F)C(C(C)C)=CN1C.C=C1C=C(C(F)F)C(C(C)C)=CN1.CC(C)c1cn(C)c(=O)cc1C(F)F
InChIInChI=1S/C11H14F3N.C10H12F3N.C10H13F2NO.C10H13F2N.CH4/c1-7(2)9-6-15(4)8(3)5-10(9)11(12,13)14;1-6(2)8-5-14-7(3)4-9(8)10(11,12)13;1-6(2)8-5-13(3)9(14)4-7(8)10(11)12;1-6(2)9-5-13-7(3)4-8(9)10(11)12;/h5-7H,3H2,1-2,4H3;4-6,14H,3H2,1-2H3;4-6,10H,1-3H3;4-6,10,13H,3H2,1-2H3;1H4
InChIKeyHBPMYSYONDXXEA-UHFFFAOYSA-N
XLogP12.52
TPSA49.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500822.92
LogP ≤ 512.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(difluoromethyl)-2-methylidene-5-propan-2-yl-1H-pyridine;4-(difluoromethyl)-1-methyl-5-propan-2-ylpyridin-2-one;methane;2-methylidene-5-propan-2-yl-4-(trifluoromethyl)-1H-pyridine;1-methyl-2-methylidene-5-propan-2-yl-4-(trifluoromethyl)pyridine with MolForge

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Related Compounds

CID 160046989
CID 160046989
CID 160933260
CID 160933260
CID 161752860
CID 161752860
CID 161761332
CID 161761332
CID 162015236
CID 162015236

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-2-methylidene-5-propan-2-yl-1H-pyridine;4-(difluoromethyl)-1-methyl-5-propan-2-ylpyridin-2-one;methane;2-methylidene-5-propan-2-yl-4-(trifluoromethyl)-1H-pyridine;1-methyl-2-methylidene-5-propan-2-yl-4-(trifluoromethyl)pyridine?
The IUPAC name of 4-(difluoromethyl)-2-methylidene-5-propan-2-yl-1H-pyridine;4-(difluoromethyl)-1-methyl-5-propan-2-ylpyridin-2-one;methane;2-methylidene-5-propan-2-yl-4-(trifluoromethyl)-1H-pyridine;1-methyl-2-methylidene-5-propan-2-yl-4-(trifluoromethyl)pyridine (CID 158430597) is 4-(difluoromethyl)-2-methylidene-5-propan-2-yl-1H-pyridine;4-(difluoromethyl)-1-methyl-5-propan-2-ylpyridin-2-one;methane;2-methylidene-5-propan-2-yl-4-(trifluoromethyl)-1H-pyridine;1-methyl-2-methylidene-5-propan-2-yl-4-(trifluoromethyl)pyridine.
What is the SMILES notation for 4-(difluoromethyl)-2-methylidene-5-propan-2-yl-1H-pyridine;4-(difluoromethyl)-1-methyl-5-propan-2-ylpyridin-2-one;methane;2-methylidene-5-propan-2-yl-4-(trifluoromethyl)-1H-pyridine;1-methyl-2-methylidene-5-propan-2-yl-4-(trifluoromethyl)pyridine?
The canonical SMILES for 4-(difluoromethyl)-2-methylidene-5-propan-2-yl-1H-pyridine;4-(difluoromethyl)-1-methyl-5-propan-2-ylpyridin-2-one;methane;2-methylidene-5-propan-2-yl-4-(trifluoromethyl)-1H-pyridine;1-methyl-2-methylidene-5-propan-2-yl-4-(trifluoromethyl)pyridine is C.C=C1C=C(C(F)(F)F)C(C(C)C)=CN1.C=C1C=C(C(F)(F)F)C(C(C)C)=CN1C.C=C1C=C(C(F)F)C(C(C)C)=CN1.CC(C)c1cn(C)c(=O)cc1C(F)F.
What is the InChIKey of 4-(difluoromethyl)-2-methylidene-5-propan-2-yl-1H-pyridine;4-(difluoromethyl)-1-methyl-5-propan-2-ylpyridin-2-one;methane;2-methylidene-5-propan-2-yl-4-(trifluoromethyl)-1H-pyridine;1-methyl-2-methylidene-5-propan-2-yl-4-(trifluoromethyl)pyridine?
The InChIKey is HBPMYSYONDXXEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N.C10H12F3N.C10H13F2NO.C10H13F2N.CH4/c1-7(2)9-6-15(4)8(3)5-10(9)11(12,13)14;1-6(2)8-5-14-7(3)4-9(8)10(11,12)13;1-6(2)8-5-13(3)9(14)4-7(8)10(11)12;1-6(2)9-5-13-7(3)4-8(9)10(11)12;/h5-7H,3H2,1-2,4H3;4-6,14H,3H2,1-2H3;4-6,10H,1-3H3;4-6,10,13H,3H2,1-2H3;1H4.
What are the key properties of 4-(difluoromethyl)-2-methylidene-5-propan-2-yl-1H-pyridine;4-(difluoromethyl)-1-methyl-5-propan-2-ylpyridin-2-one;methane;2-methylidene-5-propan-2-yl-4-(trifluoromethyl)-1H-pyridine;1-methyl-2-methylidene-5-propan-2-yl-4-(trifluoromethyl)pyridine?
4-(difluoromethyl)-2-methylidene-5-propan-2-yl-1H-pyridine;4-(difluoromethyl)-1-methyl-5-propan-2-ylpyridin-2-one;methane;2-methylidene-5-propan-2-yl-4-(trifluoromethyl)-1H-pyridine;1-methyl-2-methylidene-5-propan-2-yl-4-(trifluoromethyl)pyridine has a molecular weight of 822.92 g/mol, XLogP of 12.52, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-2-methylidene-5-propan-2-yl-1H-pyridine;4-(difluoromethyl)-1-methyl-5-propan-2-ylpyridin-2-one;methane;2-methylidene-5-propan-2-yl-4-(trifluoromethyl)-1H-pyridine;1-methyl-2-methylidene-5-propan-2-yl-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 158430597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).