(3R,4R)-4-(fluoromethyl)pyrrolidin-3-amine

C5H11FN2 — CID 54291662

IUPAC(3R,4R)-4-(fluoromethyl)pyrrolidin-3-amine
SMILESN[C@H]1CNC[C@H]1CF
InChIInChI=1S/C5H11FN2/c6-1-4-2-8-3-5(4)7/h4-5,8H,1-3,7H2/t4-,5+/m1/s1
InChIKeyGZWCITMIQSNGLN-UHNVWZDZSA-N
MW118.16 g/mol
LogP-0.50
Rot. Bonds1

About (3R,4R)-4-(fluoromethyl)pyrrolidin-3-amine

(3R,4R)-4-(fluoromethyl)pyrrolidin-3-amine (PubChem CID 54291662) has the molecular formula C5H11FN2 and a molecular weight of 118.16 g/mol. Its IUPAC name is (3R,4R)-4-(fluoromethyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name(3R,4R)-4-(fluoromethyl)pyrrolidin-3-amine
PubChem CID54291662
Molecular FormulaC5H11FN2
Molecular Weight118.16 g/mol
Exact Mass118.09
IUPAC Name(3R,4R)-4-(fluoromethyl)pyrrolidin-3-amine
SMILESN[C@H]1CNC[C@H]1CF
InChIInChI=1S/C5H11FN2/c6-1-4-2-8-3-5(4)7/h4-5,8H,1-3,7H2/t4-,5+/m1/s1
InChIKeyGZWCITMIQSNGLN-UHNVWZDZSA-N
XLogP-0.50
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.16
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-(fluoromethyl)pyrrolidin-3-amine?
The IUPAC name of (3R,4R)-4-(fluoromethyl)pyrrolidin-3-amine (CID 54291662) is (3R,4R)-4-(fluoromethyl)pyrrolidin-3-amine.
What is the SMILES notation for (3R,4R)-4-(fluoromethyl)pyrrolidin-3-amine?
The canonical SMILES for (3R,4R)-4-(fluoromethyl)pyrrolidin-3-amine is N[C@H]1CNC[C@H]1CF.
What is the InChIKey of (3R,4R)-4-(fluoromethyl)pyrrolidin-3-amine?
The InChIKey is GZWCITMIQSNGLN-UHNVWZDZSA-N. The full InChI is InChI=1S/C5H11FN2/c6-1-4-2-8-3-5(4)7/h4-5,8H,1-3,7H2/t4-,5+/m1/s1.
What are the key properties of (3R,4R)-4-(fluoromethyl)pyrrolidin-3-amine?
(3R,4R)-4-(fluoromethyl)pyrrolidin-3-amine has a molecular weight of 118.16 g/mol, XLogP of -0.50, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-(fluoromethyl)pyrrolidin-3-amine is sourced from PubChem (CID 54291662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).