2-[(3S)-3-fluoropyrrolidin-1-yl]ethanamine

C6H13FN2 — CID 67408508

IUPAC2-[(3S)-3-fluoropyrrolidin-1-yl]ethanamine
SMILESNCCN1CC[C@H](F)C1
InChIInChI=1S/C6H13FN2/c7-6-1-3-9(5-6)4-2-8/h6H,1-5,8H2/t6-/m0/s1
InChIKeyBDJMFULOUWVNIL-LURJTMIESA-N
MW132.18 g/mol
LogP-0.01
Rot. Bonds2

About 2-[(3S)-3-fluoropyrrolidin-1-yl]ethanamine

2-[(3S)-3-fluoropyrrolidin-1-yl]ethanamine (PubChem CID 67408508) has the molecular formula C6H13FN2 and a molecular weight of 132.18 g/mol. Its IUPAC name is 2-[(3S)-3-fluoropyrrolidin-1-yl]ethanamine.

Molecular Properties

Compound Name2-[(3S)-3-fluoropyrrolidin-1-yl]ethanamine
PubChem CID67408508
Molecular FormulaC6H13FN2
Molecular Weight132.18 g/mol
Exact Mass132.11
IUPAC Name2-[(3S)-3-fluoropyrrolidin-1-yl]ethanamine
SMILESNCCN1CC[C@H](F)C1
InChIInChI=1S/C6H13FN2/c7-6-1-3-9(5-6)4-2-8/h6H,1-5,8H2/t6-/m0/s1
InChIKeyBDJMFULOUWVNIL-LURJTMIESA-N
XLogP-0.01
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.18
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(3S)-3-fluoropyrrolidin-1-yl]pentan-1-amine;dihydrochloride
CID 45156784
(3R)-1-(2-chloroethyl)-3-fluoropyrrolidine
CID 130667245
2-(3-piperidin-1-ylpyrrolidin-1-yl)ethanamine
CID 45157083
2-[(3R)-3-(trifluoromethyl)pyrrolidin-1-yl]ethanamine
CID 96745643
3-fluoro-1-(3-methylbutyl)pyrrolidine
CID 67990286
2-[1-(2-aminoethyl)pyrrolidin-3-yl]ethanamine
CID 83963140
1-(2-aminoethyl)pyrrolidin-3-ol;ethane
CID 145171245
potassium 3-(3-fluoropyrrolidin-1-yl)propan-1-olate
CID 142317678
2-[(3S)-3-fluoropyrrolidin-1-yl]-N-methylethanamine
CID 134444038
2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)ethanamine;hydrochloride
CID 130157372
2-(3-methylsulfanylpyrrolidin-1-yl)ethanamine
CID 130757506
(3S)-3-fluoro-1-[(1-methylazetidin-3-yl)methyl]pyrrolidine
CID 134177865

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-fluoropyrrolidin-1-yl]ethanamine?
The IUPAC name of 2-[(3S)-3-fluoropyrrolidin-1-yl]ethanamine (CID 67408508) is 2-[(3S)-3-fluoropyrrolidin-1-yl]ethanamine.
What is the SMILES notation for 2-[(3S)-3-fluoropyrrolidin-1-yl]ethanamine?
The canonical SMILES for 2-[(3S)-3-fluoropyrrolidin-1-yl]ethanamine is NCCN1CC[C@H](F)C1.
What is the InChIKey of 2-[(3S)-3-fluoropyrrolidin-1-yl]ethanamine?
The InChIKey is BDJMFULOUWVNIL-LURJTMIESA-N. The full InChI is InChI=1S/C6H13FN2/c7-6-1-3-9(5-6)4-2-8/h6H,1-5,8H2/t6-/m0/s1.
What are the key properties of 2-[(3S)-3-fluoropyrrolidin-1-yl]ethanamine?
2-[(3S)-3-fluoropyrrolidin-1-yl]ethanamine has a molecular weight of 132.18 g/mol, XLogP of -0.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-fluoropyrrolidin-1-yl]ethanamine is sourced from PubChem (CID 67408508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).