[(3R,4S)-3-amino-4-fluoropyrrolidin-1-yl]-(2,2-difluorocyclopropyl)methanone

C8H11F3N2O — CID 170075818

IUPAC[(3R,4S)-3-amino-4-fluoropyrrolidin-1-yl]-(2,2-difluorocyclopropyl)methanone
SMILESN[C@@H]1CN(C(=O)C2CC2(F)F)C[C@@H]1F
InChIInChI=1S/C8H11F3N2O/c9-5-2-13(3-6(5)12)7(14)4-1-8(4,10)11/h4-6H,1-3,12H2/t4?,5-,6+/m0/s1
InChIKeyFABYKKYGCLVVQO-DUAGOPDLSA-N
MW208.18 g/mol
LogP0.15
Rot. Bonds1

About [(3R,4S)-3-amino-4-fluoropyrrolidin-1-yl]-(2,2-difluorocyclopropyl)methanone

[(3R,4S)-3-amino-4-fluoropyrrolidin-1-yl]-(2,2-difluorocyclopropyl)methanone (PubChem CID 170075818) has the molecular formula C8H11F3N2O and a molecular weight of 208.18 g/mol. Its IUPAC name is [(3R,4S)-3-amino-4-fluoropyrrolidin-1-yl]-(2,2-difluorocyclopropyl)methanone.

Molecular Properties

Compound Name[(3R,4S)-3-amino-4-fluoropyrrolidin-1-yl]-(2,2-difluorocyclopropyl)methanone
PubChem CID170075818
Molecular FormulaC8H11F3N2O
Molecular Weight208.18 g/mol
Exact Mass208.08
IUPAC Name[(3R,4S)-3-amino-4-fluoropyrrolidin-1-yl]-(2,2-difluorocyclopropyl)methanone
SMILESN[C@@H]1CN(C(=O)C2CC2(F)F)C[C@@H]1F
InChIInChI=1S/C8H11F3N2O/c9-5-2-13(3-6(5)12)7(14)4-1-8(4,10)11/h4-6H,1-3,12H2/t4?,5-,6+/m0/s1
InChIKeyFABYKKYGCLVVQO-DUAGOPDLSA-N
XLogP0.15
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.18
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(3R)-3-amino-4-fluoropyrrolidin-1-yl]-(4-fluorocyclohexyl)methanone
CID 153329654
[(3R)-3-aminopiperidin-1-yl]-(2,2-difluorocyclopropyl)methanone;hydrochloride
CID 165368966
4-amino-3-fluoropiperidine-1-carboxylic acid
CID 66782220
benzyl (3S,4S)-3-amino-4-fluoropyrrolidine-1-carboxylate
CID 71262078
[(1R)-2,2-difluorocyclopropyl]-[(3S)-3-ethyl-3-methylpyrrolidin-1-yl]methanone
CID 147863064
[(3R,4R)-3-tert-butyl-4-fluoropyrrolidin-1-yl]-(3,3-difluorocyclobutyl)methanone
CID 155261572
(4-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-[(1S)-2,2-dimethylcyclopropyl]methanone;hydrochloride
CID 86815216
(2,2-difluorocyclopropyl)-(4-hydroxy-3-propan-2-yl-8-azaspiro[4.5]decan-8-yl)methanone
CID 137386971
(3-amino-5-methylpiperidin-1-yl)-(2,2-dimethylcyclopropyl)methanone
CID 107002279
(3,3-difluorocyclopentyl)-(3-fluoro-4-propan-2-ylpyrrolidin-1-yl)methanone
CID 153329609
(2,2-difluorocyclopropyl)-(2-propan-2-yl-2,7-diazaspiro[3.4]octan-7-yl)methanone
CID 171415579
(1R)-2,2-difluorocyclopropane-1-carbonyl chloride
CID 124563920

Frequently Asked Questions

What is the IUPAC name of [(3R,4S)-3-amino-4-fluoropyrrolidin-1-yl]-(2,2-difluorocyclopropyl)methanone?
The IUPAC name of [(3R,4S)-3-amino-4-fluoropyrrolidin-1-yl]-(2,2-difluorocyclopropyl)methanone (CID 170075818) is [(3R,4S)-3-amino-4-fluoropyrrolidin-1-yl]-(2,2-difluorocyclopropyl)methanone.
What is the SMILES notation for [(3R,4S)-3-amino-4-fluoropyrrolidin-1-yl]-(2,2-difluorocyclopropyl)methanone?
The canonical SMILES for [(3R,4S)-3-amino-4-fluoropyrrolidin-1-yl]-(2,2-difluorocyclopropyl)methanone is N[C@@H]1CN(C(=O)C2CC2(F)F)C[C@@H]1F.
What is the InChIKey of [(3R,4S)-3-amino-4-fluoropyrrolidin-1-yl]-(2,2-difluorocyclopropyl)methanone?
The InChIKey is FABYKKYGCLVVQO-DUAGOPDLSA-N. The full InChI is InChI=1S/C8H11F3N2O/c9-5-2-13(3-6(5)12)7(14)4-1-8(4,10)11/h4-6H,1-3,12H2/t4?,5-,6+/m0/s1.
What are the key properties of [(3R,4S)-3-amino-4-fluoropyrrolidin-1-yl]-(2,2-difluorocyclopropyl)methanone?
[(3R,4S)-3-amino-4-fluoropyrrolidin-1-yl]-(2,2-difluorocyclopropyl)methanone has a molecular weight of 208.18 g/mol, XLogP of 0.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4S)-3-amino-4-fluoropyrrolidin-1-yl]-(2,2-difluorocyclopropyl)methanone is sourced from PubChem (CID 170075818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).