5,5-diethyl-3-fluoro-3,4-dihydropyrrol-2-amine

C8H15FN2 — CID 123964205

IUPAC5,5-diethyl-3-fluoro-3,4-dihydropyrrol-2-amine
SMILESCCC1(CC)CC(F)C(N)=N1
InChIInChI=1S/C8H15FN2/c1-3-8(4-2)5-6(9)7(10)11-8/h6H,3-5H2,1-2H3,(H2,10,11)
InChIKeyJRGIUXYDUPIDKG-UHFFFAOYSA-N
MW158.22 g/mol
LogP1.64
Rot. Bonds2

About 5,5-diethyl-3-fluoro-3,4-dihydropyrrol-2-amine

5,5-diethyl-3-fluoro-3,4-dihydropyrrol-2-amine (PubChem CID 123964205) has the molecular formula C8H15FN2 and a molecular weight of 158.22 g/mol. Its IUPAC name is 5,5-diethyl-3-fluoro-3,4-dihydropyrrol-2-amine.

Molecular Properties

Compound Name5,5-diethyl-3-fluoro-3,4-dihydropyrrol-2-amine
PubChem CID123964205
Molecular FormulaC8H15FN2
Molecular Weight158.22 g/mol
Exact Mass158.12
IUPAC Name5,5-diethyl-3-fluoro-3,4-dihydropyrrol-2-amine
SMILESCCC1(CC)CC(F)C(N)=N1
InChIInChI=1S/C8H15FN2/c1-3-8(4-2)5-6(9)7(10)11-8/h6H,3-5H2,1-2H3,(H2,10,11)
InChIKeyJRGIUXYDUPIDKG-UHFFFAOYSA-N
XLogP1.64
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.22
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,5-diethyl-3-fluoro-3,4-dihydropyrrol-2-amine?
The IUPAC name of 5,5-diethyl-3-fluoro-3,4-dihydropyrrol-2-amine (CID 123964205) is 5,5-diethyl-3-fluoro-3,4-dihydropyrrol-2-amine.
What is the SMILES notation for 5,5-diethyl-3-fluoro-3,4-dihydropyrrol-2-amine?
The canonical SMILES for 5,5-diethyl-3-fluoro-3,4-dihydropyrrol-2-amine is CCC1(CC)CC(F)C(N)=N1.
What is the InChIKey of 5,5-diethyl-3-fluoro-3,4-dihydropyrrol-2-amine?
The InChIKey is JRGIUXYDUPIDKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15FN2/c1-3-8(4-2)5-6(9)7(10)11-8/h6H,3-5H2,1-2H3,(H2,10,11).
What are the key properties of 5,5-diethyl-3-fluoro-3,4-dihydropyrrol-2-amine?
5,5-diethyl-3-fluoro-3,4-dihydropyrrol-2-amine has a molecular weight of 158.22 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diethyl-3-fluoro-3,4-dihydropyrrol-2-amine is sourced from PubChem (CID 123964205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).