ethane;1-[(2S,4S)-1-ethyl-4-fluoropyrrolidin-2-yl]ethanone

C10H20FNO — CID 176567903

IUPACethane;1-[(2S,4S)-1-ethyl-4-fluoropyrrolidin-2-yl]ethanone
SMILESCC.CCN1C[C@@H](F)C[C@H]1C(C)=O
InChIInChI=1S/C8H14FNO.C2H6/c1-3-10-5-7(9)4-8(10)6(2)11;1-2/h7-8H,3-5H2,1-2H3;1-2H3/t7-,8-;/m0./s1
InChIKeyXMOIZIDLZFZMIX-WSZWBAFRSA-N
MW189.27 g/mol
LogP2.03
Rot. Bonds2

About ethane;1-[(2S,4S)-1-ethyl-4-fluoropyrrolidin-2-yl]ethanone

ethane;1-[(2S,4S)-1-ethyl-4-fluoropyrrolidin-2-yl]ethanone (PubChem CID 176567903) has the molecular formula C10H20FNO and a molecular weight of 189.27 g/mol. Its IUPAC name is ethane;1-[(2S,4S)-1-ethyl-4-fluoropyrrolidin-2-yl]ethanone.

Molecular Properties

Compound Nameethane;1-[(2S,4S)-1-ethyl-4-fluoropyrrolidin-2-yl]ethanone
PubChem CID176567903
Molecular FormulaC10H20FNO
Molecular Weight189.27 g/mol
Exact Mass189.15
IUPAC Nameethane;1-[(2S,4S)-1-ethyl-4-fluoropyrrolidin-2-yl]ethanone
SMILESCC.CCN1C[C@@H](F)C[C@H]1C(C)=O
InChIInChI=1S/C8H14FNO.C2H6/c1-3-10-5-7(9)4-8(10)6(2)11;1-2/h7-8H,3-5H2,1-2H3;1-2H3/t7-,8-;/m0./s1
InChIKeyXMOIZIDLZFZMIX-WSZWBAFRSA-N
XLogP2.03
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.27
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1-Pyrrolidinyl)-2-pentanone
CID 67699479
1-(1-Methylpyrrolidin-2-yl)ethanone
CID 22942527
2-(Pyrrolidin-1-yl)cyclohexanone
CID 12649075
1-[(2S)-1-methylpyrrolidin-2-yl]ethanone
CID 54471019
1-(4-Fluoro-1-methylpyrrolidin-2-yl)ethanone
CID 57687005
1-[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]ethanone
CID 59215643
1-[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]-2,2-dimethylpropan-1-one
CID 59476484
1-[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]-2-methylpropan-1-one
CID 59668708
1-[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]ethanone
CID 67724996
1-(1-Ethyl-4,4-difluoropyrrolidin-2-yl)propan-1-one
CID 68300270
6,6,6-Trifluoro-3-pyrrolidin-1-ylhexan-2-one
CID 70811159
1-(4-Fluoro-1-methylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one
CID 72302814

Frequently Asked Questions

What is the IUPAC name of ethane;1-[(2S,4S)-1-ethyl-4-fluoropyrrolidin-2-yl]ethanone?
The IUPAC name of ethane;1-[(2S,4S)-1-ethyl-4-fluoropyrrolidin-2-yl]ethanone (CID 176567903) is ethane;1-[(2S,4S)-1-ethyl-4-fluoropyrrolidin-2-yl]ethanone.
What is the SMILES notation for ethane;1-[(2S,4S)-1-ethyl-4-fluoropyrrolidin-2-yl]ethanone?
The canonical SMILES for ethane;1-[(2S,4S)-1-ethyl-4-fluoropyrrolidin-2-yl]ethanone is CC.CCN1C[C@@H](F)C[C@H]1C(C)=O.
What is the InChIKey of ethane;1-[(2S,4S)-1-ethyl-4-fluoropyrrolidin-2-yl]ethanone?
The InChIKey is XMOIZIDLZFZMIX-WSZWBAFRSA-N. The full InChI is InChI=1S/C8H14FNO.C2H6/c1-3-10-5-7(9)4-8(10)6(2)11;1-2/h7-8H,3-5H2,1-2H3;1-2H3/t7-,8-;/m0./s1.
What are the key properties of ethane;1-[(2S,4S)-1-ethyl-4-fluoropyrrolidin-2-yl]ethanone?
ethane;1-[(2S,4S)-1-ethyl-4-fluoropyrrolidin-2-yl]ethanone has a molecular weight of 189.27 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[(2S,4S)-1-ethyl-4-fluoropyrrolidin-2-yl]ethanone is sourced from PubChem (CID 176567903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).