4-(fluoromethyl)pyrrolidin-3-amine

C5H11FN2 — CID 18762938

IUPAC4-(fluoromethyl)pyrrolidin-3-amine
SMILESNC1CNCC1CF
InChIInChI=1S/C5H11FN2/c6-1-4-2-8-3-5(4)7/h4-5,8H,1-3,7H2
InChIKeyGZWCITMIQSNGLN-UHFFFAOYSA-N
MW118.16 g/mol
LogP-0.50
Rot. Bonds1

About 4-(fluoromethyl)pyrrolidin-3-amine

4-(fluoromethyl)pyrrolidin-3-amine (PubChem CID 18762938) has the molecular formula C5H11FN2 and a molecular weight of 118.16 g/mol. Its IUPAC name is 4-(fluoromethyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name4-(fluoromethyl)pyrrolidin-3-amine
PubChem CID18762938
Molecular FormulaC5H11FN2
Molecular Weight118.16 g/mol
Exact Mass118.09
IUPAC Name4-(fluoromethyl)pyrrolidin-3-amine
SMILESNC1CNCC1CF
InChIInChI=1S/C5H11FN2/c6-1-4-2-8-3-5(4)7/h4-5,8H,1-3,7H2
InChIKeyGZWCITMIQSNGLN-UHFFFAOYSA-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 4-(fluoromethyl)pyrrolidin-3-amine?
The IUPAC name of 4-(fluoromethyl)pyrrolidin-3-amine (CID 18762938) is 4-(fluoromethyl)pyrrolidin-3-amine.
What is the SMILES notation for 4-(fluoromethyl)pyrrolidin-3-amine?
The canonical SMILES for 4-(fluoromethyl)pyrrolidin-3-amine is NC1CNCC1CF.
What is the InChIKey of 4-(fluoromethyl)pyrrolidin-3-amine?
The InChIKey is GZWCITMIQSNGLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11FN2/c6-1-4-2-8-3-5(4)7/h4-5,8H,1-3,7H2.
What are the key properties of 4-(fluoromethyl)pyrrolidin-3-amine?
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 4-(fluoromethyl)pyrrolidin-3-amine is sourced from PubChem (CID 18762938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).