ethane;formic acid;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-(3,3,4-trimethylpyrrolidin-1-yl)ethyl]acetamide

C18H35F3N2O4 — CID 166157130

IUPACethane;formic acid;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-(3,3,4-trimethylpyrrolidin-1-yl)ethyl]acetamide
SMILESCC.CC(C)C.CC1CN(C(=O)CNC(=O)C(F)(F)F)CC1(C)C.O=CO
InChIInChI=1S/C11H17F3N2O2.C4H10.C2H6.CH2O2/c1-7-5-16(6-10(7,2)3)8(17)4-15-9(18)11(12,13)14;1-4(2)3;1-2;2-1-3/h7H,4-6H2,1-3H3,(H,15,18);4H,1-3H3;1-2H3;1H,(H,2,3)
InChIKeyFRONWHBRRGXGTP-UHFFFAOYSA-N
MW400.48 g/mol
LogP3.56
Rot. Bonds2

About ethane;formic acid;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-(3,3,4-trimethylpyrrolidin-1-yl)ethyl]acetamide

ethane;formic acid;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-(3,3,4-trimethylpyrrolidin-1-yl)ethyl]acetamide (PubChem CID 166157130) has the molecular formula C18H35F3N2O4 and a molecular weight of 400.48 g/mol. Its IUPAC name is ethane;formic acid;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-(3,3,4-trimethylpyrrolidin-1-yl)ethyl]acetamide.

Molecular Properties

Compound Nameethane;formic acid;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-(3,3,4-trimethylpyrrolidin-1-yl)ethyl]acetamide
PubChem CID166157130
Molecular FormulaC18H35F3N2O4
Molecular Weight400.48 g/mol
Exact Mass400.25
IUPAC Nameethane;formic acid;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-(3,3,4-trimethylpyrrolidin-1-yl)ethyl]acetamide
SMILESCC.CC(C)C.CC1CN(C(=O)CNC(=O)C(F)(F)F)CC1(C)C.O=CO
InChIInChI=1S/C11H17F3N2O2.C4H10.C2H6.CH2O2/c1-7-5-16(6-10(7,2)3)8(17)4-15-9(18)11(12,13)14;1-4(2)3;1-2;2-1-3/h7H,4-6H2,1-3H3,(H,15,18);4H,1-3H3;1-2H3;1H,(H,2,3)
InChIKeyFRONWHBRRGXGTP-UHFFFAOYSA-N
XLogP3.56
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;N-methylformamide;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-(3,3,4-trimethylpyrrolidin-1-yl)ethyl]acetamide
CID 166156699
N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]formamide;formic acid;2-methylpropane;1,1,1-trifluoroethane
CID 166537821
formamide;2-methylpropane;1,1,1-trifluoropropan-2-yl N-[2-oxo-2-(3,3,4-trimethylpyrrolidin-1-yl)ethyl]carbamate
CID 167481041
Acetaldehyde;2-methylpropane;2-(2,2,2-trifluoroethylamino)-1-(3,3,4-trimethylpyrrolidin-1-yl)ethanone
CID 167481764
butane;ethane;N-methylformamide;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-[(4R)-3,3,4-trimethylpyrrolidin-1-yl]ethyl]acetamide
CID 167521827
formic acid;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-[(4R)-3,3,4-trimethylpyrrolidin-1-yl]ethyl]acetamide
CID 167521966
fluoro formate;2-methylpropane;1,3,3,4-tetramethylpyrrolidine;2,2,2-trifluoro-N-(2-oxoethyl)acetamide
CID 167522195
N-[2-[(1S,5R)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]-2,2,2-trifluoroacetamide;formic acid;2-methylpropane
CID 167522413
N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]-2,2,2-trifluoroacetamide;formic acid;2-methylpropane
CID 167523065
Formic acid;2-(methylamino)-1-(3,3,4-trimethylpyrrolidin-1-yl)ethanone;2-methylpropane;2,2,2-trifluoroacetaldehyde
CID 167523103
formic acid;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-(3,3,4-trimethylpyrrolidin-1-yl)ethyl]acetamide
CID 167523170
N-[2-[(5R)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]-2,2,2-trifluoroacetamide;formic acid;2-methylpropane
CID 167523267

Frequently Asked Questions

What is the IUPAC name of ethane;formic acid;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-(3,3,4-trimethylpyrrolidin-1-yl)ethyl]acetamide?
The IUPAC name of ethane;formic acid;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-(3,3,4-trimethylpyrrolidin-1-yl)ethyl]acetamide (CID 166157130) is ethane;formic acid;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-(3,3,4-trimethylpyrrolidin-1-yl)ethyl]acetamide.
What is the SMILES notation for ethane;formic acid;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-(3,3,4-trimethylpyrrolidin-1-yl)ethyl]acetamide?
The canonical SMILES for ethane;formic acid;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-(3,3,4-trimethylpyrrolidin-1-yl)ethyl]acetamide is CC.CC(C)C.CC1CN(C(=O)CNC(=O)C(F)(F)F)CC1(C)C.O=CO.
What is the InChIKey of ethane;formic acid;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-(3,3,4-trimethylpyrrolidin-1-yl)ethyl]acetamide?
The InChIKey is FRONWHBRRGXGTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O2.C4H10.C2H6.CH2O2/c1-7-5-16(6-10(7,2)3)8(17)4-15-9(18)11(12,13)14;1-4(2)3;1-2;2-1-3/h7H,4-6H2,1-3H3,(H,15,18);4H,1-3H3;1-2H3;1H,(H,2,3).
What are the key properties of ethane;formic acid;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-(3,3,4-trimethylpyrrolidin-1-yl)ethyl]acetamide?
ethane;formic acid;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-(3,3,4-trimethylpyrrolidin-1-yl)ethyl]acetamide has a molecular weight of 400.48 g/mol, XLogP of 3.56, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;formic acid;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-(3,3,4-trimethylpyrrolidin-1-yl)ethyl]acetamide is sourced from PubChem (CID 166157130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).