fluoro formate;2-methylpropane;1,3,3,4-tetramethylpyrrolidine;2,2,2-trifluoro-N-(2-oxoethyl)acetamide

C17H32F4N2O4 — CID 167522195

IUPACfluoro formate;2-methylpropane;1,3,3,4-tetramethylpyrrolidine;2,2,2-trifluoro-N-(2-oxoethyl)acetamide
SMILESCC(C)C.CC1CN(C)CC1(C)C.O=CCNC(=O)C(F)(F)F.O=COF
InChIInChI=1S/C8H17N.C4H4F3NO2.C4H10.CHFO2/c1-7-5-9(4)6-8(7,2)3;5-4(6,7)3(10)8-1-2-9;1-4(2)3;2-4-1-3/h7H,5-6H2,1-4H3;2H,1H2,(H,8,10);4H,1-3H3;1H
InChIKeyHEWAVCDKKYYKHE-UHFFFAOYSA-N
MW404.45 g/mol
LogP3.16
Rot. Bonds3

About fluoro formate;2-methylpropane;1,3,3,4-tetramethylpyrrolidine;2,2,2-trifluoro-N-(2-oxoethyl)acetamide

fluoro formate;2-methylpropane;1,3,3,4-tetramethylpyrrolidine;2,2,2-trifluoro-N-(2-oxoethyl)acetamide (PubChem CID 167522195) has the molecular formula C17H32F4N2O4 and a molecular weight of 404.45 g/mol. Its IUPAC name is fluoro formate;2-methylpropane;1,3,3,4-tetramethylpyrrolidine;2,2,2-trifluoro-N-(2-oxoethyl)acetamide.

Molecular Properties

Compound Namefluoro formate;2-methylpropane;1,3,3,4-tetramethylpyrrolidine;2,2,2-trifluoro-N-(2-oxoethyl)acetamide
PubChem CID167522195
Molecular FormulaC17H32F4N2O4
Molecular Weight404.45 g/mol
Exact Mass404.23
IUPAC Namefluoro formate;2-methylpropane;1,3,3,4-tetramethylpyrrolidine;2,2,2-trifluoro-N-(2-oxoethyl)acetamide
SMILESCC(C)C.CC1CN(C)CC1(C)C.O=CCNC(=O)C(F)(F)F.O=COF
InChIInChI=1S/C8H17N.C4H4F3NO2.C4H10.CHFO2/c1-7-5-9(4)6-8(7,2)3;5-4(6,7)3(10)8-1-2-9;1-4(2)3;2-4-1-3/h7H,5-6H2,1-4H3;2H,1H2,(H,8,10);4H,1-3H3;1H
InChIKeyHEWAVCDKKYYKHE-UHFFFAOYSA-N
XLogP3.16
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.45
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze fluoro formate;2-methylpropane;1,3,3,4-tetramethylpyrrolidine;2,2,2-trifluoro-N-(2-oxoethyl)acetamide with MolForge

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Related Compounds

ethane;formic acid;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-(3,3,4-trimethylpyrrolidin-1-yl)ethyl]acetamide
CID 166157130
Acetaldehyde;2-methylpropane;2-(2,2,2-trifluoroethylamino)-1-(3,3,4-trimethylpyrrolidin-1-yl)ethanone
CID 167481764
formic acid;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-[(4R)-3,3,4-trimethylpyrrolidin-1-yl]ethyl]acetamide
CID 167521966
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

Frequently Asked Questions

What is the IUPAC name of fluoro formate;2-methylpropane;1,3,3,4-tetramethylpyrrolidine;2,2,2-trifluoro-N-(2-oxoethyl)acetamide?
The IUPAC name of fluoro formate;2-methylpropane;1,3,3,4-tetramethylpyrrolidine;2,2,2-trifluoro-N-(2-oxoethyl)acetamide (CID 167522195) is fluoro formate;2-methylpropane;1,3,3,4-tetramethylpyrrolidine;2,2,2-trifluoro-N-(2-oxoethyl)acetamide.
What is the SMILES notation for fluoro formate;2-methylpropane;1,3,3,4-tetramethylpyrrolidine;2,2,2-trifluoro-N-(2-oxoethyl)acetamide?
The canonical SMILES for fluoro formate;2-methylpropane;1,3,3,4-tetramethylpyrrolidine;2,2,2-trifluoro-N-(2-oxoethyl)acetamide is CC(C)C.CC1CN(C)CC1(C)C.O=CCNC(=O)C(F)(F)F.O=COF.
What is the InChIKey of fluoro formate;2-methylpropane;1,3,3,4-tetramethylpyrrolidine;2,2,2-trifluoro-N-(2-oxoethyl)acetamide?
The InChIKey is HEWAVCDKKYYKHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N.C4H4F3NO2.C4H10.CHFO2/c1-7-5-9(4)6-8(7,2)3;5-4(6,7)3(10)8-1-2-9;1-4(2)3;2-4-1-3/h7H,5-6H2,1-4H3;2H,1H2,(H,8,10);4H,1-3H3;1H.
What are the key properties of fluoro formate;2-methylpropane;1,3,3,4-tetramethylpyrrolidine;2,2,2-trifluoro-N-(2-oxoethyl)acetamide?
fluoro formate;2-methylpropane;1,3,3,4-tetramethylpyrrolidine;2,2,2-trifluoro-N-(2-oxoethyl)acetamide has a molecular weight of 404.45 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro formate;2-methylpropane;1,3,3,4-tetramethylpyrrolidine;2,2,2-trifluoro-N-(2-oxoethyl)acetamide is sourced from PubChem (CID 167522195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).