(3R,4R)-4-fluoropyrrolidin-3-amine

C4H9FN2 — CID 14612505

IUPAC(3R,4R)-4-fluoropyrrolidin-3-amine
SMILESN[C@@H]1CNC[C@H]1F
InChIInChI=1S/C4H9FN2/c5-3-1-7-2-4(3)6/h3-4,7H,1-2,6H2/t3-,4-/m1/s1
InChIKeyNNDGWIOJJXUONO-QWWZWVQMSA-N
MW104.13 g/mol
LogP-0.75
Rot. Bonds

About (3R,4R)-4-fluoropyrrolidin-3-amine

(3R,4R)-4-fluoropyrrolidin-3-amine (PubChem CID 14612505) has the molecular formula C4H9FN2 and a molecular weight of 104.13 g/mol. Its IUPAC name is (3R,4R)-4-fluoropyrrolidin-3-amine.

Molecular Properties

Compound Name(3R,4R)-4-fluoropyrrolidin-3-amine
PubChem CID14612505
Molecular FormulaC4H9FN2
Molecular Weight104.13 g/mol
Exact Mass104.07
IUPAC Name(3R,4R)-4-fluoropyrrolidin-3-amine
SMILESN[C@@H]1CNC[C@H]1F
InChIInChI=1S/C4H9FN2/c5-3-1-7-2-4(3)6/h3-4,7H,1-2,6H2/t3-,4-/m1/s1
InChIKeyNNDGWIOJJXUONO-QWWZWVQMSA-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 (3R,4R)-4-fluoropyrrolidin-3-amine?
The IUPAC name of (3R,4R)-4-fluoropyrrolidin-3-amine (CID 14612505) is (3R,4R)-4-fluoropyrrolidin-3-amine.
What is the SMILES notation for (3R,4R)-4-fluoropyrrolidin-3-amine?
The canonical SMILES for (3R,4R)-4-fluoropyrrolidin-3-amine is N[C@@H]1CNC[C@H]1F.
What is the InChIKey of (3R,4R)-4-fluoropyrrolidin-3-amine?
The InChIKey is NNDGWIOJJXUONO-QWWZWVQMSA-N. The full InChI is InChI=1S/C4H9FN2/c5-3-1-7-2-4(3)6/h3-4,7H,1-2,6H2/t3-,4-/m1/s1.
What are the key properties of (3R,4R)-4-fluoropyrrolidin-3-amine?
(3R,4R)-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 (3R,4R)-4-fluoropyrrolidin-3-amine is sourced from PubChem (CID 14612505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).