4,4-difluoro-1,3-dimethylpyrrolidin-3-amine

C6H12F2N2 — CID 156640031

IUPAC4,4-difluoro-1,3-dimethylpyrrolidin-3-amine
SMILESCN1CC(C)(N)C(F)(F)C1
InChIInChI=1S/C6H12F2N2/c1-5(9)3-10(2)4-6(5,7)8/h3-4,9H2,1-2H3
InChIKeyOQUJKKSEWOENBK-UHFFFAOYSA-N
MW150.17 g/mol
LogP0.28
Rot. Bonds

About 4,4-difluoro-1,3-dimethylpyrrolidin-3-amine

4,4-difluoro-1,3-dimethylpyrrolidin-3-amine (PubChem CID 156640031) has the molecular formula C6H12F2N2 and a molecular weight of 150.17 g/mol. Its IUPAC name is 4,4-difluoro-1,3-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name4,4-difluoro-1,3-dimethylpyrrolidin-3-amine
PubChem CID156640031
Molecular FormulaC6H12F2N2
Molecular Weight150.17 g/mol
Exact Mass150.10
IUPAC Name4,4-difluoro-1,3-dimethylpyrrolidin-3-amine
SMILESCN1CC(C)(N)C(F)(F)C1
InChIInChI=1S/C6H12F2N2/c1-5(9)3-10(2)4-6(5,7)8/h3-4,9H2,1-2H3
InChIKeyOQUJKKSEWOENBK-UHFFFAOYSA-N
XLogP0.28
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.17
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-1,3-dimethylpyrrolidin-3-amine?
The IUPAC name of 4,4-difluoro-1,3-dimethylpyrrolidin-3-amine (CID 156640031) is 4,4-difluoro-1,3-dimethylpyrrolidin-3-amine.
What is the SMILES notation for 4,4-difluoro-1,3-dimethylpyrrolidin-3-amine?
The canonical SMILES for 4,4-difluoro-1,3-dimethylpyrrolidin-3-amine is CN1CC(C)(N)C(F)(F)C1.
What is the InChIKey of 4,4-difluoro-1,3-dimethylpyrrolidin-3-amine?
The InChIKey is OQUJKKSEWOENBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F2N2/c1-5(9)3-10(2)4-6(5,7)8/h3-4,9H2,1-2H3.
What are the key properties of 4,4-difluoro-1,3-dimethylpyrrolidin-3-amine?
4,4-difluoro-1,3-dimethylpyrrolidin-3-amine has a molecular weight of 150.17 g/mol, XLogP of 0.28, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-1,3-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 156640031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).