2-amino-1-(3,3,4,4-tetrafluoropyrrolidin-1-yl)ethanone

C6H8F4N2O — CID 130681510

IUPAC2-amino-1-(3,3,4,4-tetrafluoropyrrolidin-1-yl)ethanone
SMILESNCC(=O)N1CC(F)(F)C(F)(F)C1
InChIInChI=1S/C6H8F4N2O/c7-5(8)2-12(4(13)1-11)3-6(5,9)10/h1-3,11H2
InChIKeyLGCKGWGBKHRJNL-UHFFFAOYSA-N
MW200.13 g/mol
LogP0.06
Rot. Bonds1

About 2-amino-1-(3,3,4,4-tetrafluoropyrrolidin-1-yl)ethanone

2-amino-1-(3,3,4,4-tetrafluoropyrrolidin-1-yl)ethanone (PubChem CID 130681510) has the molecular formula C6H8F4N2O and a molecular weight of 200.13 g/mol. Its IUPAC name is 2-amino-1-(3,3,4,4-tetrafluoropyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Name2-amino-1-(3,3,4,4-tetrafluoropyrrolidin-1-yl)ethanone
PubChem CID130681510
Molecular FormulaC6H8F4N2O
Molecular Weight200.13 g/mol
Exact Mass200.06
IUPAC Name2-amino-1-(3,3,4,4-tetrafluoropyrrolidin-1-yl)ethanone
SMILESNCC(=O)N1CC(F)(F)C(F)(F)C1
InChIInChI=1S/C6H8F4N2O/c7-5(8)2-12(4(13)1-11)3-6(5,9)10/h1-3,11H2
InChIKeyLGCKGWGBKHRJNL-UHFFFAOYSA-N
XLogP0.06
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.13
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-1-(3,3,4,4-tetrafluoropyrrolidin-1-yl)propan-1-one
CID 130698703
2-amino-1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)ethanone
CID 107218721
2-amino-1-(4,4-difluoropiperidin-1-yl)ethanone;propane
CID 142306583
2-amino-1-(4,4-dimethylpiperidin-1-yl)ethanone;ethane
CID 142306561
6-amino-1-(3,3-difluoroazetidin-1-yl)hexan-1-one
CID 91109495
3-methyl-1-(3,3,4,4-tetrafluoropyrrolidin-1-yl)but-2-en-1-one
CID 130624471
2-amino-1-(4-aminopiperidin-1-yl)ethanone;hydrochloride
CID 131106028
2-amino-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone;hydrochloride
CID 119280540
2-amino-1-[3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]ethanone
CID 119326792
bis((2S)-2-amino-1-(3,3,4,4-tetrafluoropyrrolidin-1-yl)propan-1-one);dihydrochloride
CID 158386943
2-amino-1-piperidin-1-ylethanone;methanol
CID 142937104
methyl 3,3,4,4-tetrafluoropyrrolidine-1-carboxylate
CID 126987071

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3,3,4,4-tetrafluoropyrrolidin-1-yl)ethanone?
The IUPAC name of 2-amino-1-(3,3,4,4-tetrafluoropyrrolidin-1-yl)ethanone (CID 130681510) is 2-amino-1-(3,3,4,4-tetrafluoropyrrolidin-1-yl)ethanone.
What is the SMILES notation for 2-amino-1-(3,3,4,4-tetrafluoropyrrolidin-1-yl)ethanone?
The canonical SMILES for 2-amino-1-(3,3,4,4-tetrafluoropyrrolidin-1-yl)ethanone is NCC(=O)N1CC(F)(F)C(F)(F)C1.
What is the InChIKey of 2-amino-1-(3,3,4,4-tetrafluoropyrrolidin-1-yl)ethanone?
The InChIKey is LGCKGWGBKHRJNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F4N2O/c7-5(8)2-12(4(13)1-11)3-6(5,9)10/h1-3,11H2.
What are the key properties of 2-amino-1-(3,3,4,4-tetrafluoropyrrolidin-1-yl)ethanone?
2-amino-1-(3,3,4,4-tetrafluoropyrrolidin-1-yl)ethanone has a molecular weight of 200.13 g/mol, XLogP of 0.06, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3,3,4,4-tetrafluoropyrrolidin-1-yl)ethanone is sourced from PubChem (CID 130681510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).