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

C9H14F4N2O — CID 128659331

IUPAC3,3,4,4-tetrafluoro-N-(2-methylpropyl)pyrrolidine-1-carboxamide
SMILESCC(C)CNC(=O)N1CC(F)(F)C(F)(F)C1
InChIInChI=1S/C9H14F4N2O/c1-6(2)3-14-7(16)15-4-8(10,11)9(12,13)5-15/h6H,3-5H2,1-2H3,(H,14,16)
InChIKeyPCZGHJXJBWNCFR-UHFFFAOYSA-N
MW242.22 g/mol
LogP1.94
Rot. Bonds2

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

3,3,4,4-tetrafluoro-N-(2-methylpropyl)pyrrolidine-1-carboxamide (PubChem CID 128659331) has the molecular formula C9H14F4N2O and a molecular weight of 242.22 g/mol. Its IUPAC name is 3,3,4,4-tetrafluoro-N-(2-methylpropyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3,3,4,4-tetrafluoro-N-(2-methylpropyl)pyrrolidine-1-carboxamide
PubChem CID128659331
Molecular FormulaC9H14F4N2O
Molecular Weight242.22 g/mol
Exact Mass242.10
IUPAC Name3,3,4,4-tetrafluoro-N-(2-methylpropyl)pyrrolidine-1-carboxamide
SMILESCC(C)CNC(=O)N1CC(F)(F)C(F)(F)C1
InChIInChI=1S/C9H14F4N2O/c1-6(2)3-14-7(16)15-4-8(10,11)9(12,13)5-15/h6H,3-5H2,1-2H3,(H,14,16)
InChIKeyPCZGHJXJBWNCFR-UHFFFAOYSA-N
XLogP1.94
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.22
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3,3-difluoro-N-(2-methylpropyl)pyrrolidine-1-carboxamide
CID 164555892
N-(2-methylpropyl)-4-propanoylpiperazine-1-carboxamide
CID 23963068
3-methyl-1-(2-methylpropylcarbamoyl)piperidine-3-carboxylic acid
CID 63137697
3-ethyl-1-(2-methylpropylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63146127
3-methoxy-N-(2-methylpropyl)azetidine-1-carboxamide
CID 170110889
(5R)-N-(2-methylpropyl)-1-oxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 97374304
ethane;3-(2-hydroxypropan-2-yl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide
CID 164556104
1-(2-methylpropylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63031885
N-(2-methylpropyl)-4-pentylpiperazine-1-carboxamide
CID 113104066
2-[(3,3-difluoroazetidin-1-yl)methyl]-N-(2-methylpropyl)prop-2-enamide
CID 177014957
N-(2-methylpropyl)-4-(pyrrolidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
CID 87054516
4-amino-N-(2-methylpropyl)-5-(trifluoromethyl)azepane-1-carboxamide
CID 165487439

Frequently Asked Questions

What is the IUPAC name of 3,3,4,4-tetrafluoro-N-(2-methylpropyl)pyrrolidine-1-carboxamide?
The IUPAC name of 3,3,4,4-tetrafluoro-N-(2-methylpropyl)pyrrolidine-1-carboxamide (CID 128659331) is 3,3,4,4-tetrafluoro-N-(2-methylpropyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 3,3,4,4-tetrafluoro-N-(2-methylpropyl)pyrrolidine-1-carboxamide?
The canonical SMILES for 3,3,4,4-tetrafluoro-N-(2-methylpropyl)pyrrolidine-1-carboxamide is CC(C)CNC(=O)N1CC(F)(F)C(F)(F)C1.
What is the InChIKey of 3,3,4,4-tetrafluoro-N-(2-methylpropyl)pyrrolidine-1-carboxamide?
The InChIKey is PCZGHJXJBWNCFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F4N2O/c1-6(2)3-14-7(16)15-4-8(10,11)9(12,13)5-15/h6H,3-5H2,1-2H3,(H,14,16).
What are the key properties of 3,3,4,4-tetrafluoro-N-(2-methylpropyl)pyrrolidine-1-carboxamide?
3,3,4,4-tetrafluoro-N-(2-methylpropyl)pyrrolidine-1-carboxamide has a molecular weight of 242.22 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4-tetrafluoro-N-(2-methylpropyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 128659331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).