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

C6H10F2N2 — CID 18983411

IUPAC3,3-bis(fluoromethyl)-2,4-dihydropyrrol-5-amine
SMILESNC1=NCC(CF)(CF)C1
InChIInChI=1S/C6H10F2N2/c7-2-6(3-8)1-5(9)10-4-6/h1-4H2,(H2,9,10)
InChIKeyUHIYKJNITKJPEI-UHFFFAOYSA-N
MW148.16 g/mol
LogP0.67
Rot. Bonds2

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

3,3-bis(fluoromethyl)-2,4-dihydropyrrol-5-amine (PubChem CID 18983411) has the molecular formula C6H10F2N2 and a molecular weight of 148.16 g/mol. Its IUPAC name is 3,3-bis(fluoromethyl)-2,4-dihydropyrrol-5-amine.

Molecular Properties

Compound Name3,3-bis(fluoromethyl)-2,4-dihydropyrrol-5-amine
PubChem CID18983411
Molecular FormulaC6H10F2N2
Molecular Weight148.16 g/mol
Exact Mass148.08
IUPAC Name3,3-bis(fluoromethyl)-2,4-dihydropyrrol-5-amine
SMILESNC1=NCC(CF)(CF)C1
InChIInChI=1S/C6H10F2N2/c7-2-6(3-8)1-5(9)10-4-6/h1-4H2,(H2,9,10)
InChIKeyUHIYKJNITKJPEI-UHFFFAOYSA-N
XLogP0.67
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3,3-bis(fluoromethyl)-2,4-dihydropyrrol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,3-bis(fluoromethyl)-2,4-dihydropyrrol-5-amine?
The IUPAC name of 3,3-bis(fluoromethyl)-2,4-dihydropyrrol-5-amine (CID 18983411) is 3,3-bis(fluoromethyl)-2,4-dihydropyrrol-5-amine.
What is the SMILES notation for 3,3-bis(fluoromethyl)-2,4-dihydropyrrol-5-amine?
The canonical SMILES for 3,3-bis(fluoromethyl)-2,4-dihydropyrrol-5-amine is NC1=NCC(CF)(CF)C1.
What is the InChIKey of 3,3-bis(fluoromethyl)-2,4-dihydropyrrol-5-amine?
The InChIKey is UHIYKJNITKJPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F2N2/c7-2-6(3-8)1-5(9)10-4-6/h1-4H2,(H2,9,10).
What are the key properties of 3,3-bis(fluoromethyl)-2,4-dihydropyrrol-5-amine?
3,3-bis(fluoromethyl)-2,4-dihydropyrrol-5-amine has a molecular weight of 148.16 g/mol, XLogP of 0.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-bis(fluoromethyl)-2,4-dihydropyrrol-5-amine is sourced from PubChem (CID 18983411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).