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

C6H13FN2 — CID 174342083

IUPAC1-[(3S)-3-fluoropyrrolidin-1-yl]ethanamine
SMILESCC(N)N1CC[C@H](F)C1
InChIInChI=1S/C6H13FN2/c1-5(8)9-3-2-6(7)4-9/h5-6H,2-4,8H2,1H3/t5?,6-/m0/s1
InChIKeyVDYDNDIXHMBVRC-GDVGLLTNSA-N
MW132.18 g/mol
LogP0.33
Rot. Bonds1

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

1-[(3S)-3-fluoropyrrolidin-1-yl]ethanamine (PubChem CID 174342083) has the molecular formula C6H13FN2 and a molecular weight of 132.18 g/mol. Its IUPAC name is 1-[(3S)-3-fluoropyrrolidin-1-yl]ethanamine.

Molecular Properties

Compound Name1-[(3S)-3-fluoropyrrolidin-1-yl]ethanamine
PubChem CID174342083
Molecular FormulaC6H13FN2
Molecular Weight132.18 g/mol
Exact Mass132.11
IUPAC Name1-[(3S)-3-fluoropyrrolidin-1-yl]ethanamine
SMILESCC(N)N1CC[C@H](F)C1
InChIInChI=1S/C6H13FN2/c1-5(8)9-3-2-6(7)4-9/h5-6H,2-4,8H2,1H3/t5?,6-/m0/s1
InChIKeyVDYDNDIXHMBVRC-GDVGLLTNSA-N
XLogP0.33
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.18
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-fluoropyrrolidin-1-yl]ethanamine?
The IUPAC name of 1-[(3S)-3-fluoropyrrolidin-1-yl]ethanamine (CID 174342083) is 1-[(3S)-3-fluoropyrrolidin-1-yl]ethanamine.
What is the SMILES notation for 1-[(3S)-3-fluoropyrrolidin-1-yl]ethanamine?
The canonical SMILES for 1-[(3S)-3-fluoropyrrolidin-1-yl]ethanamine is CC(N)N1CC[C@H](F)C1.
What is the InChIKey of 1-[(3S)-3-fluoropyrrolidin-1-yl]ethanamine?
The InChIKey is VDYDNDIXHMBVRC-GDVGLLTNSA-N. The full InChI is InChI=1S/C6H13FN2/c1-5(8)9-3-2-6(7)4-9/h5-6H,2-4,8H2,1H3/t5?,6-/m0/s1.
What are the key properties of 1-[(3S)-3-fluoropyrrolidin-1-yl]ethanamine?
1-[(3S)-3-fluoropyrrolidin-1-yl]ethanamine has a molecular weight of 132.18 g/mol, XLogP of 0.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-fluoropyrrolidin-1-yl]ethanamine is sourced from PubChem (CID 174342083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).