4-(1,1-difluoro-2-methoxyethyl)pyrrolidine-1,3-diamine

C7H15F2N3O — CID 146364649

IUPAC4-(1,1-difluoro-2-methoxyethyl)pyrrolidine-1,3-diamine
SMILESCOCC(F)(F)C1CN(N)CC1N
InChIInChI=1S/C7H15F2N3O/c1-13-4-7(8,9)5-2-12(11)3-6(5)10/h5-6H,2-4,10-11H2,1H3
InChIKeyIGXGMENMENMYTP-UHFFFAOYSA-N
MW195.21 g/mol
LogP-0.60
Rot. Bonds3

About 4-(1,1-difluoro-2-methoxyethyl)pyrrolidine-1,3-diamine

4-(1,1-difluoro-2-methoxyethyl)pyrrolidine-1,3-diamine (PubChem CID 146364649) has the molecular formula C7H15F2N3O and a molecular weight of 195.21 g/mol. Its IUPAC name is 4-(1,1-difluoro-2-methoxyethyl)pyrrolidine-1,3-diamine.

Molecular Properties

Compound Name4-(1,1-difluoro-2-methoxyethyl)pyrrolidine-1,3-diamine
PubChem CID146364649
Molecular FormulaC7H15F2N3O
Molecular Weight195.21 g/mol
Exact Mass195.12
IUPAC Name4-(1,1-difluoro-2-methoxyethyl)pyrrolidine-1,3-diamine
SMILESCOCC(F)(F)C1CN(N)CC1N
InChIInChI=1S/C7H15F2N3O/c1-13-4-7(8,9)5-2-12(11)3-6(5)10/h5-6H,2-4,10-11H2,1H3
InChIKeyIGXGMENMENMYTP-UHFFFAOYSA-N
XLogP-0.60
TPSA64.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.21
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(1,1-difluoro-2-methoxyethyl)pyrrolidine-1,3-diamine?
The IUPAC name of 4-(1,1-difluoro-2-methoxyethyl)pyrrolidine-1,3-diamine (CID 146364649) is 4-(1,1-difluoro-2-methoxyethyl)pyrrolidine-1,3-diamine.
What is the SMILES notation for 4-(1,1-difluoro-2-methoxyethyl)pyrrolidine-1,3-diamine?
The canonical SMILES for 4-(1,1-difluoro-2-methoxyethyl)pyrrolidine-1,3-diamine is COCC(F)(F)C1CN(N)CC1N.
What is the InChIKey of 4-(1,1-difluoro-2-methoxyethyl)pyrrolidine-1,3-diamine?
The InChIKey is IGXGMENMENMYTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15F2N3O/c1-13-4-7(8,9)5-2-12(11)3-6(5)10/h5-6H,2-4,10-11H2,1H3.
What are the key properties of 4-(1,1-difluoro-2-methoxyethyl)pyrrolidine-1,3-diamine?
4-(1,1-difluoro-2-methoxyethyl)pyrrolidine-1,3-diamine has a molecular weight of 195.21 g/mol, XLogP of -0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-difluoro-2-methoxyethyl)pyrrolidine-1,3-diamine is sourced from PubChem (CID 146364649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).