3-ethyl-3-(fluoromethyl)-2,4-dihydropyrrol-5-amine

C7H13FN2 — CID 18983366

IUPAC3-ethyl-3-(fluoromethyl)-2,4-dihydropyrrol-5-amine
SMILESCCC1(CF)CN=C(N)C1
InChIInChI=1S/C7H13FN2/c1-2-7(4-8)3-6(9)10-5-7/h2-5H2,1H3,(H2,9,10)
InChIKeyLTJGCHOOQXWEPW-UHFFFAOYSA-N
MW144.19 g/mol
LogP1.11
Rot. Bonds2

About 3-ethyl-3-(fluoromethyl)-2,4-dihydropyrrol-5-amine

3-ethyl-3-(fluoromethyl)-2,4-dihydropyrrol-5-amine (PubChem CID 18983366) has the molecular formula C7H13FN2 and a molecular weight of 144.19 g/mol. Its IUPAC name is 3-ethyl-3-(fluoromethyl)-2,4-dihydropyrrol-5-amine.

Molecular Properties

Compound Name3-ethyl-3-(fluoromethyl)-2,4-dihydropyrrol-5-amine
PubChem CID18983366
Molecular FormulaC7H13FN2
Molecular Weight144.19 g/mol
Exact Mass144.11
IUPAC Name3-ethyl-3-(fluoromethyl)-2,4-dihydropyrrol-5-amine
SMILESCCC1(CF)CN=C(N)C1
InChIInChI=1S/C7H13FN2/c1-2-7(4-8)3-6(9)10-5-7/h2-5H2,1H3,(H2,9,10)
InChIKeyLTJGCHOOQXWEPW-UHFFFAOYSA-N
XLogP1.11
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.19
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-(fluoromethyl)-2,4-dihydropyrrol-5-amine?
The IUPAC name of 3-ethyl-3-(fluoromethyl)-2,4-dihydropyrrol-5-amine (CID 18983366) is 3-ethyl-3-(fluoromethyl)-2,4-dihydropyrrol-5-amine.
What is the SMILES notation for 3-ethyl-3-(fluoromethyl)-2,4-dihydropyrrol-5-amine?
The canonical SMILES for 3-ethyl-3-(fluoromethyl)-2,4-dihydropyrrol-5-amine is CCC1(CF)CN=C(N)C1.
What is the InChIKey of 3-ethyl-3-(fluoromethyl)-2,4-dihydropyrrol-5-amine?
The InChIKey is LTJGCHOOQXWEPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FN2/c1-2-7(4-8)3-6(9)10-5-7/h2-5H2,1H3,(H2,9,10).
What are the key properties of 3-ethyl-3-(fluoromethyl)-2,4-dihydropyrrol-5-amine?
3-ethyl-3-(fluoromethyl)-2,4-dihydropyrrol-5-amine has a molecular weight of 144.19 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-(fluoromethyl)-2,4-dihydropyrrol-5-amine is sourced from PubChem (CID 18983366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).