4,4-difluoro-2-methylpyrrolidin-1-amine;ethane

C7H16F2N2 — CID 145391724

IUPAC4,4-difluoro-2-methylpyrrolidin-1-amine;ethane
SMILESCC.CC1CC(F)(F)CN1N
InChIInChI=1S/C5H10F2N2.C2H6/c1-4-2-5(6,7)3-9(4)8;1-2/h4H,2-3,8H2,1H3;1-2H3
InChIKeyHLNOWDWZVJZOEJ-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.62
Rot. Bonds

About 4,4-difluoro-2-methylpyrrolidin-1-amine;ethane

4,4-difluoro-2-methylpyrrolidin-1-amine;ethane (PubChem CID 145391724) has the molecular formula C7H16F2N2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 4,4-difluoro-2-methylpyrrolidin-1-amine;ethane.

Molecular Properties

Compound Name4,4-difluoro-2-methylpyrrolidin-1-amine;ethane
PubChem CID145391724
Molecular FormulaC7H16F2N2
Molecular Weight166.22 g/mol
Exact Mass166.13
IUPAC Name4,4-difluoro-2-methylpyrrolidin-1-amine;ethane
SMILESCC.CC1CC(F)(F)CN1N
InChIInChI=1S/C5H10F2N2.C2H6/c1-4-2-5(6,7)3-9(4)8;1-2/h4H,2-3,8H2,1H3;1-2H3
InChIKeyHLNOWDWZVJZOEJ-UHFFFAOYSA-N
XLogP1.62
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-2-methylpyrrolidin-1-amine;ethane?
The IUPAC name of 4,4-difluoro-2-methylpyrrolidin-1-amine;ethane (CID 145391724) is 4,4-difluoro-2-methylpyrrolidin-1-amine;ethane.
What is the SMILES notation for 4,4-difluoro-2-methylpyrrolidin-1-amine;ethane?
The canonical SMILES for 4,4-difluoro-2-methylpyrrolidin-1-amine;ethane is CC.CC1CC(F)(F)CN1N.
What is the InChIKey of 4,4-difluoro-2-methylpyrrolidin-1-amine;ethane?
The InChIKey is HLNOWDWZVJZOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F2N2.C2H6/c1-4-2-5(6,7)3-9(4)8;1-2/h4H,2-3,8H2,1H3;1-2H3.
What are the key properties of 4,4-difluoro-2-methylpyrrolidin-1-amine;ethane?
4,4-difluoro-2-methylpyrrolidin-1-amine;ethane has a molecular weight of 166.22 g/mol, XLogP of 1.62, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-2-methylpyrrolidin-1-amine;ethane is sourced from PubChem (CID 145391724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).