4-fluoropyrrolidin-3-amine

C4H9FN2 — CID 14612503

IUPAC4-fluoropyrrolidin-3-amine
SMILESNC1CNCC1F
InChIInChI=1S/C4H9FN2/c5-3-1-7-2-4(3)6/h3-4,7H,1-2,6H2
InChIKeyNNDGWIOJJXUONO-UHFFFAOYSA-N
MW104.13 g/mol
LogP-0.75
Rot. Bonds

About 4-fluoropyrrolidin-3-amine

4-fluoropyrrolidin-3-amine (PubChem CID 14612503) has the molecular formula C4H9FN2 and a molecular weight of 104.13 g/mol. Its IUPAC name is 4-fluoropyrrolidin-3-amine.

Molecular Properties

Compound Name4-fluoropyrrolidin-3-amine
PubChem CID14612503
Molecular FormulaC4H9FN2
Molecular Weight104.13 g/mol
Exact Mass104.07
IUPAC Name4-fluoropyrrolidin-3-amine
SMILESNC1CNCC1F
InChIInChI=1S/C4H9FN2/c5-3-1-7-2-4(3)6/h3-4,7H,1-2,6H2
InChIKeyNNDGWIOJJXUONO-UHFFFAOYSA-N
XLogP-0.75
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.13
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoropyrrolidin-3-amine?
The IUPAC name of 4-fluoropyrrolidin-3-amine (CID 14612503) is 4-fluoropyrrolidin-3-amine.
What is the SMILES notation for 4-fluoropyrrolidin-3-amine?
The canonical SMILES for 4-fluoropyrrolidin-3-amine is NC1CNCC1F.
What is the InChIKey of 4-fluoropyrrolidin-3-amine?
The InChIKey is NNDGWIOJJXUONO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9FN2/c5-3-1-7-2-4(3)6/h3-4,7H,1-2,6H2.
What are the key properties of 4-fluoropyrrolidin-3-amine?
4-fluoropyrrolidin-3-amine has a molecular weight of 104.13 g/mol, XLogP of -0.75, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoropyrrolidin-3-amine is sourced from PubChem (CID 14612503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).