4-amino-1-(3-fluoropyrrolidin-1-yl)butan-1-one

C8H15FN2O — CID 83854045

IUPAC4-amino-1-(3-fluoropyrrolidin-1-yl)butan-1-one
SMILESNCCCC(=O)N1CCC(F)C1
InChIInChI=1S/C8H15FN2O/c9-7-3-5-11(6-7)8(12)2-1-4-10/h7H,1-6,10H2
InChIKeyPXMKRTMJUQEKSC-UHFFFAOYSA-N
MW174.22 g/mol
LogP0.30
Rot. Bonds3

About 4-amino-1-(3-fluoropyrrolidin-1-yl)butan-1-one

4-amino-1-(3-fluoropyrrolidin-1-yl)butan-1-one (PubChem CID 83854045) has the molecular formula C8H15FN2O and a molecular weight of 174.22 g/mol. Its IUPAC name is 4-amino-1-(3-fluoropyrrolidin-1-yl)butan-1-one.

Molecular Properties

Compound Name4-amino-1-(3-fluoropyrrolidin-1-yl)butan-1-one
PubChem CID83854045
Molecular FormulaC8H15FN2O
Molecular Weight174.22 g/mol
Exact Mass174.12
IUPAC Name4-amino-1-(3-fluoropyrrolidin-1-yl)butan-1-one
SMILESNCCCC(=O)N1CCC(F)C1
InChIInChI=1S/C8H15FN2O/c9-7-3-5-11(6-7)8(12)2-1-4-10/h7H,1-6,10H2
InChIKeyPXMKRTMJUQEKSC-UHFFFAOYSA-N
XLogP0.30
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.22
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 112568080
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CID 178062004
6-amino-1-(3-methoxypyrrolidin-1-yl)hexan-1-one
CID 103532834
5-amino-1-[(3S)-3-hydroxypiperidin-1-yl]pentan-1-one
CID 107222956
2-(4-aminobutanoyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82863221
6-amino-1-[3-(diethylamino)pyrrolidin-1-yl]hexan-1-one
CID 55157992
[1-(3-aminopropanoyl)pyrrolidin-3-yl]boronic acid
CID 167854630
1-[(3R)-3-aminopyrrolidin-1-yl]pentan-1-one
CID 81469401
4-(4-aminobutanoyl)piperazine-1-carboxylic acid
CID 122623364
4-amino-1-[4-(2,2,2-trifluoroethoxy)piperidin-1-yl]butan-1-one;hydrochloride
CID 66686907
4-amino-1-[3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-1-yl]butan-1-one
CID 119896806
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CID 114409026

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(3-fluoropyrrolidin-1-yl)butan-1-one?
The IUPAC name of 4-amino-1-(3-fluoropyrrolidin-1-yl)butan-1-one (CID 83854045) is 4-amino-1-(3-fluoropyrrolidin-1-yl)butan-1-one.
What is the SMILES notation for 4-amino-1-(3-fluoropyrrolidin-1-yl)butan-1-one?
The canonical SMILES for 4-amino-1-(3-fluoropyrrolidin-1-yl)butan-1-one is NCCCC(=O)N1CCC(F)C1.
What is the InChIKey of 4-amino-1-(3-fluoropyrrolidin-1-yl)butan-1-one?
The InChIKey is PXMKRTMJUQEKSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15FN2O/c9-7-3-5-11(6-7)8(12)2-1-4-10/h7H,1-6,10H2.
What are the key properties of 4-amino-1-(3-fluoropyrrolidin-1-yl)butan-1-one?
4-amino-1-(3-fluoropyrrolidin-1-yl)butan-1-one has a molecular weight of 174.22 g/mol, XLogP of 0.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(3-fluoropyrrolidin-1-yl)butan-1-one is sourced from PubChem (CID 83854045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).