3-(fluoromethyl)-3,4-dihydro-2H-pyrrol-5-amine

C5H9FN2 — CID 18983358

IUPAC3-(fluoromethyl)-3,4-dihydro-2H-pyrrol-5-amine
SMILESNC1=NCC(CF)C1
InChIInChI=1S/C5H9FN2/c6-2-4-1-5(7)8-3-4/h4H,1-3H2,(H2,7,8)
InChIKeyOPNOEJMEDRBNOY-UHFFFAOYSA-N
MW116.14 g/mol
LogP0.33
Rot. Bonds1

About 3-(fluoromethyl)-3,4-dihydro-2H-pyrrol-5-amine

3-(fluoromethyl)-3,4-dihydro-2H-pyrrol-5-amine (PubChem CID 18983358) has the molecular formula C5H9FN2 and a molecular weight of 116.14 g/mol. Its IUPAC name is 3-(fluoromethyl)-3,4-dihydro-2H-pyrrol-5-amine.

Molecular Properties

Compound Name3-(fluoromethyl)-3,4-dihydro-2H-pyrrol-5-amine
PubChem CID18983358
Molecular FormulaC5H9FN2
Molecular Weight116.14 g/mol
Exact Mass116.07
IUPAC Name3-(fluoromethyl)-3,4-dihydro-2H-pyrrol-5-amine
SMILESNC1=NCC(CF)C1
InChIInChI=1S/C5H9FN2/c6-2-4-1-5(7)8-3-4/h4H,1-3H2,(H2,7,8)
InChIKeyOPNOEJMEDRBNOY-UHFFFAOYSA-N
XLogP0.33
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.14
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(fluoromethyl)-3,4-dihydro-2H-pyrrol-5-amine?
The IUPAC name of 3-(fluoromethyl)-3,4-dihydro-2H-pyrrol-5-amine (CID 18983358) is 3-(fluoromethyl)-3,4-dihydro-2H-pyrrol-5-amine.
What is the SMILES notation for 3-(fluoromethyl)-3,4-dihydro-2H-pyrrol-5-amine?
The canonical SMILES for 3-(fluoromethyl)-3,4-dihydro-2H-pyrrol-5-amine is NC1=NCC(CF)C1.
What is the InChIKey of 3-(fluoromethyl)-3,4-dihydro-2H-pyrrol-5-amine?
The InChIKey is OPNOEJMEDRBNOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9FN2/c6-2-4-1-5(7)8-3-4/h4H,1-3H2,(H2,7,8).
What are the key properties of 3-(fluoromethyl)-3,4-dihydro-2H-pyrrol-5-amine?
3-(fluoromethyl)-3,4-dihydro-2H-pyrrol-5-amine has a molecular weight of 116.14 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 3-(fluoromethyl)-3,4-dihydro-2H-pyrrol-5-amine is sourced from PubChem (CID 18983358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).