ethane;3,3,4,4-tetrafluoro-N-(2-methylpropyl)pyrrolidine-1-carboxamide

C11H20F4N2O — CID 164556283

IUPACethane;3,3,4,4-tetrafluoro-N-(2-methylpropyl)pyrrolidine-1-carboxamide
SMILESCC.CC(C)CNC(=O)N1CC(F)(F)C(F)(F)C1
InChIInChI=1S/C9H14F4N2O.C2H6/c1-6(2)3-14-7(16)15-4-8(10,11)9(12,13)5-15;1-2/h6H,3-5H2,1-2H3,(H,14,16);1-2H3
InChIKeyVWFXWOMTYSAYEB-UHFFFAOYSA-N
MW272.29 g/mol
LogP2.96
Rot. Bonds2

About ethane;3,3,4,4-tetrafluoro-N-(2-methylpropyl)pyrrolidine-1-carboxamide

ethane;3,3,4,4-tetrafluoro-N-(2-methylpropyl)pyrrolidine-1-carboxamide (PubChem CID 164556283) has the molecular formula C11H20F4N2O and a molecular weight of 272.29 g/mol. Its IUPAC name is ethane;3,3,4,4-tetrafluoro-N-(2-methylpropyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Nameethane;3,3,4,4-tetrafluoro-N-(2-methylpropyl)pyrrolidine-1-carboxamide
PubChem CID164556283
Molecular FormulaC11H20F4N2O
Molecular Weight272.29 g/mol
Exact Mass272.15
IUPAC Nameethane;3,3,4,4-tetrafluoro-N-(2-methylpropyl)pyrrolidine-1-carboxamide
SMILESCC.CC(C)CNC(=O)N1CC(F)(F)C(F)(F)C1
InChIInChI=1S/C9H14F4N2O.C2H6/c1-6(2)3-14-7(16)15-4-8(10,11)9(12,13)5-15;1-2/h6H,3-5H2,1-2H3,(H,14,16);1-2H3
InChIKeyVWFXWOMTYSAYEB-UHFFFAOYSA-N
XLogP2.96
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.29
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;3,3,4,4-tetrafluoro-N-(2-methylpropyl)pyrrolidine-1-carboxamide?
The IUPAC name of ethane;3,3,4,4-tetrafluoro-N-(2-methylpropyl)pyrrolidine-1-carboxamide (CID 164556283) is ethane;3,3,4,4-tetrafluoro-N-(2-methylpropyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for ethane;3,3,4,4-tetrafluoro-N-(2-methylpropyl)pyrrolidine-1-carboxamide?
The canonical SMILES for ethane;3,3,4,4-tetrafluoro-N-(2-methylpropyl)pyrrolidine-1-carboxamide is CC.CC(C)CNC(=O)N1CC(F)(F)C(F)(F)C1.
What is the InChIKey of ethane;3,3,4,4-tetrafluoro-N-(2-methylpropyl)pyrrolidine-1-carboxamide?
The InChIKey is VWFXWOMTYSAYEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F4N2O.C2H6/c1-6(2)3-14-7(16)15-4-8(10,11)9(12,13)5-15;1-2/h6H,3-5H2,1-2H3,(H,14,16);1-2H3.
What are the key properties of ethane;3,3,4,4-tetrafluoro-N-(2-methylpropyl)pyrrolidine-1-carboxamide?
ethane;3,3,4,4-tetrafluoro-N-(2-methylpropyl)pyrrolidine-1-carboxamide has a molecular weight of 272.29 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3,3,4,4-tetrafluoro-N-(2-methylpropyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 164556283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).