2-[(3S,4S)-4-fluoropyrrolidin-3-yl]acetamide

C6H11FN2O — CID 153395201

IUPAC2-[(3S,4S)-4-fluoropyrrolidin-3-yl]acetamide
SMILESNC(=O)C[C@H]1CNC[C@H]1F
InChIInChI=1S/C6H11FN2O/c7-5-3-9-2-4(5)1-6(8)10/h4-5,9H,1-3H2,(H2,8,10)/t4-,5+/m0/s1
InChIKeyOFFMIGRIZDQALN-CRCLSJGQSA-N
MW146.16 g/mol
LogP-0.58
Rot. Bonds2

About 2-[(3S,4S)-4-fluoropyrrolidin-3-yl]acetamide

2-[(3S,4S)-4-fluoropyrrolidin-3-yl]acetamide (PubChem CID 153395201) has the molecular formula C6H11FN2O and a molecular weight of 146.16 g/mol. Its IUPAC name is 2-[(3S,4S)-4-fluoropyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-[(3S,4S)-4-fluoropyrrolidin-3-yl]acetamide
PubChem CID153395201
Molecular FormulaC6H11FN2O
Molecular Weight146.16 g/mol
Exact Mass146.09
IUPAC Name2-[(3S,4S)-4-fluoropyrrolidin-3-yl]acetamide
SMILESNC(=O)C[C@H]1CNC[C@H]1F
InChIInChI=1S/C6H11FN2O/c7-5-3-9-2-4(5)1-6(8)10/h4-5,9H,1-3H2,(H2,8,10)/t4-,5+/m0/s1
InChIKeyOFFMIGRIZDQALN-CRCLSJGQSA-N
XLogP-0.58
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.16
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-Ethyl-2-pyrrolidinone
CID 10866300
4-(2-Aminoethyl)pyrrolidin-2-one hydrochloride
CID 118295348
4-(2-Aminoethyl)-1-methylpyrrolidin-2-one
CID 83528817
3-(2-Aminoethyl)pyrrolidin-2-one hydrochloride
CID 121604184
N-methyl-2-[(3R)-pyrrolidin-3-yl]acetamide hydrochloride
CID 165944820
2-(Pyrrolidin-3-yl)acetamide
CID 22484093
3-Azabicyclo[3.1.0]hexane-6-carboxamide
CID 66713019
4-(2,2-Difluoroethyl)pyrrolidin-2-one
CID 17948934
4-(2,2,2-Trifluoroethyl)pyrrolidin-2-one
CID 53629170
(1r,5s,6r)-3-Azabicyclo[3.1.0]hexane-6-carboxamide
CID 55284419
2-pyrrolidin-3-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 65978619
3-(2-Aminoethyl)pyrrolidin-2-one
CID 67083854

Frequently Asked Questions

What is the IUPAC name of 2-[(3S,4S)-4-fluoropyrrolidin-3-yl]acetamide?
The IUPAC name of 2-[(3S,4S)-4-fluoropyrrolidin-3-yl]acetamide (CID 153395201) is 2-[(3S,4S)-4-fluoropyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-[(3S,4S)-4-fluoropyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-[(3S,4S)-4-fluoropyrrolidin-3-yl]acetamide is NC(=O)C[C@H]1CNC[C@H]1F.
What is the InChIKey of 2-[(3S,4S)-4-fluoropyrrolidin-3-yl]acetamide?
The InChIKey is OFFMIGRIZDQALN-CRCLSJGQSA-N. The full InChI is InChI=1S/C6H11FN2O/c7-5-3-9-2-4(5)1-6(8)10/h4-5,9H,1-3H2,(H2,8,10)/t4-,5+/m0/s1.
What are the key properties of 2-[(3S,4S)-4-fluoropyrrolidin-3-yl]acetamide?
2-[(3S,4S)-4-fluoropyrrolidin-3-yl]acetamide has a molecular weight of 146.16 g/mol, XLogP of -0.58, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S,4S)-4-fluoropyrrolidin-3-yl]acetamide is sourced from PubChem (CID 153395201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).