2-pyrrolidin-2-yl-N-(2,2,3,3-tetrafluoropropyl)acetamide

C9H14F4N2O — CID 106291855

IUPAC2-pyrrolidin-2-yl-N-(2,2,3,3-tetrafluoropropyl)acetamide
SMILESO=C(CC1CCCN1)NCC(F)(F)C(F)F
InChIInChI=1S/C9H14F4N2O/c10-8(11)9(12,13)5-15-7(16)4-6-2-1-3-14-6/h6,8,14H,1-5H2,(H,15,16)
InChIKeyFOEXKQRXDRVKJA-UHFFFAOYSA-N
MW242.22 g/mol
LogP1.15
Rot. Bonds5

About 2-pyrrolidin-2-yl-N-(2,2,3,3-tetrafluoropropyl)acetamide

2-pyrrolidin-2-yl-N-(2,2,3,3-tetrafluoropropyl)acetamide (PubChem CID 106291855) has the molecular formula C9H14F4N2O and a molecular weight of 242.22 g/mol. Its IUPAC name is 2-pyrrolidin-2-yl-N-(2,2,3,3-tetrafluoropropyl)acetamide.

Molecular Properties

Compound Name2-pyrrolidin-2-yl-N-(2,2,3,3-tetrafluoropropyl)acetamide
PubChem CID106291855
Molecular FormulaC9H14F4N2O
Molecular Weight242.22 g/mol
Exact Mass242.10
IUPAC Name2-pyrrolidin-2-yl-N-(2,2,3,3-tetrafluoropropyl)acetamide
SMILESO=C(CC1CCCN1)NCC(F)(F)C(F)F
InChIInChI=1S/C9H14F4N2O/c10-8(11)9(12,13)5-15-7(16)4-6-2-1-3-14-6/h6,8,14H,1-5H2,(H,15,16)
InChIKeyFOEXKQRXDRVKJA-UHFFFAOYSA-N
XLogP1.15
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.22
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2-pyrrolidin-2-ylacetamide
CID 119737430
2-pyrrolidin-2-yl-N-(2,2,4-trimethylpentyl)acetamide
CID 115160242
2-pyrrolidin-2-yl-N-(4,4,4-trifluorobutyl)acetamide;hydrochloride
CID 119781580
N-(2-ethyl-2-methylsulfanylbutyl)-2-pyrrolidin-2-ylacetamide
CID 103812569
N-(3-aminopropyl)-2-pyrrolidin-2-ylacetamide
CID 61366460
N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119828479
N-(cyclobutylmethyl)-2-pyrrolidin-2-ylacetamide
CID 61372732
N-(cyclopentylmethyl)-2-pyrrolidin-2-ylacetamide
CID 61370022
2-methyl-N-[2-[(2-pyrrolidin-2-ylacetyl)amino]ethyl]propanamide
CID 61365863
N-carbamoyl-2-pyrrolidin-2-ylacetamide
CID 79195265
N-methyl-2-[(2S)-pyrrolidin-2-yl]acetamide
CID 66778094
N-methyl-2-[(2R)-pyrrolidin-2-yl]acetamide
CID 66776546

Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-2-yl-N-(2,2,3,3-tetrafluoropropyl)acetamide?
The IUPAC name of 2-pyrrolidin-2-yl-N-(2,2,3,3-tetrafluoropropyl)acetamide (CID 106291855) is 2-pyrrolidin-2-yl-N-(2,2,3,3-tetrafluoropropyl)acetamide.
What is the SMILES notation for 2-pyrrolidin-2-yl-N-(2,2,3,3-tetrafluoropropyl)acetamide?
The canonical SMILES for 2-pyrrolidin-2-yl-N-(2,2,3,3-tetrafluoropropyl)acetamide is O=C(CC1CCCN1)NCC(F)(F)C(F)F.
What is the InChIKey of 2-pyrrolidin-2-yl-N-(2,2,3,3-tetrafluoropropyl)acetamide?
The InChIKey is FOEXKQRXDRVKJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F4N2O/c10-8(11)9(12,13)5-15-7(16)4-6-2-1-3-14-6/h6,8,14H,1-5H2,(H,15,16).
What are the key properties of 2-pyrrolidin-2-yl-N-(2,2,3,3-tetrafluoropropyl)acetamide?
2-pyrrolidin-2-yl-N-(2,2,3,3-tetrafluoropropyl)acetamide has a molecular weight of 242.22 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-2-yl-N-(2,2,3,3-tetrafluoropropyl)acetamide is sourced from PubChem (CID 106291855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).