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

C6H11FN2 — CID 18983405

IUPAC3-(fluoromethyl)-3-methyl-2,4-dihydropyrrol-5-amine
SMILESCC1(CF)CN=C(N)C1
InChIInChI=1S/C6H11FN2/c1-6(3-7)2-5(8)9-4-6/h2-4H2,1H3,(H2,8,9)
InChIKeyCPJSDBCJFHAFSA-UHFFFAOYSA-N
MW130.17 g/mol
LogP0.72
Rot. Bonds1

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

3-(fluoromethyl)-3-methyl-2,4-dihydropyrrol-5-amine (PubChem CID 18983405) has the molecular formula C6H11FN2 and a molecular weight of 130.17 g/mol. Its IUPAC name is 3-(fluoromethyl)-3-methyl-2,4-dihydropyrrol-5-amine.

Molecular Properties

Compound Name3-(fluoromethyl)-3-methyl-2,4-dihydropyrrol-5-amine
PubChem CID18983405
Molecular FormulaC6H11FN2
Molecular Weight130.17 g/mol
Exact Mass130.09
IUPAC Name3-(fluoromethyl)-3-methyl-2,4-dihydropyrrol-5-amine
SMILESCC1(CF)CN=C(N)C1
InChIInChI=1S/C6H11FN2/c1-6(3-7)2-5(8)9-4-6/h2-4H2,1H3,(H2,8,9)
InChIKeyCPJSDBCJFHAFSA-UHFFFAOYSA-N
XLogP0.72
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.17
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(fluoromethyl)-3-methyl-2,4-dihydropyrrol-5-amine?
The IUPAC name of 3-(fluoromethyl)-3-methyl-2,4-dihydropyrrol-5-amine (CID 18983405) is 3-(fluoromethyl)-3-methyl-2,4-dihydropyrrol-5-amine.
What is the SMILES notation for 3-(fluoromethyl)-3-methyl-2,4-dihydropyrrol-5-amine?
The canonical SMILES for 3-(fluoromethyl)-3-methyl-2,4-dihydropyrrol-5-amine is CC1(CF)CN=C(N)C1.
What is the InChIKey of 3-(fluoromethyl)-3-methyl-2,4-dihydropyrrol-5-amine?
The InChIKey is CPJSDBCJFHAFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FN2/c1-6(3-7)2-5(8)9-4-6/h2-4H2,1H3,(H2,8,9).
What are the key properties of 3-(fluoromethyl)-3-methyl-2,4-dihydropyrrol-5-amine?
3-(fluoromethyl)-3-methyl-2,4-dihydropyrrol-5-amine has a molecular weight of 130.17 g/mol, XLogP of 0.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(fluoromethyl)-3-methyl-2,4-dihydropyrrol-5-amine is sourced from PubChem (CID 18983405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).