4-fluoro-4-(methoxymethyl)pyrrolidine-1,3-diamine

C6H14FN3O — CID 137489571

IUPAC4-fluoro-4-(methoxymethyl)pyrrolidine-1,3-diamine
SMILESCOCC1(F)CN(N)CC1N
InChIInChI=1S/C6H14FN3O/c1-11-4-6(7)3-10(9)2-5(6)8/h5H,2-4,8-9H2,1H3
InChIKeyBIRQUFMSHQWPLR-UHFFFAOYSA-N
MW163.20 g/mol
LogP-1.14
Rot. Bonds2

About 4-fluoro-4-(methoxymethyl)pyrrolidine-1,3-diamine

4-fluoro-4-(methoxymethyl)pyrrolidine-1,3-diamine (PubChem CID 137489571) has the molecular formula C6H14FN3O and a molecular weight of 163.20 g/mol. Its IUPAC name is 4-fluoro-4-(methoxymethyl)pyrrolidine-1,3-diamine.

Molecular Properties

Compound Name4-fluoro-4-(methoxymethyl)pyrrolidine-1,3-diamine
PubChem CID137489571
Molecular FormulaC6H14FN3O
Molecular Weight163.20 g/mol
Exact Mass163.11
IUPAC Name4-fluoro-4-(methoxymethyl)pyrrolidine-1,3-diamine
SMILESCOCC1(F)CN(N)CC1N
InChIInChI=1S/C6H14FN3O/c1-11-4-6(7)3-10(9)2-5(6)8/h5H,2-4,8-9H2,1H3
InChIKeyBIRQUFMSHQWPLR-UHFFFAOYSA-N
XLogP-1.14
TPSA64.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.20
LogP ≤ 5-1.14
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-fluoro-4-(methoxymethyl)pyrrolidine-1,3-diamine?
The IUPAC name of 4-fluoro-4-(methoxymethyl)pyrrolidine-1,3-diamine (CID 137489571) is 4-fluoro-4-(methoxymethyl)pyrrolidine-1,3-diamine.
What is the SMILES notation for 4-fluoro-4-(methoxymethyl)pyrrolidine-1,3-diamine?
The canonical SMILES for 4-fluoro-4-(methoxymethyl)pyrrolidine-1,3-diamine is COCC1(F)CN(N)CC1N.
What is the InChIKey of 4-fluoro-4-(methoxymethyl)pyrrolidine-1,3-diamine?
The InChIKey is BIRQUFMSHQWPLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14FN3O/c1-11-4-6(7)3-10(9)2-5(6)8/h5H,2-4,8-9H2,1H3.
What are the key properties of 4-fluoro-4-(methoxymethyl)pyrrolidine-1,3-diamine?
4-fluoro-4-(methoxymethyl)pyrrolidine-1,3-diamine has a molecular weight of 163.20 g/mol, XLogP of -1.14, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-(methoxymethyl)pyrrolidine-1,3-diamine is sourced from PubChem (CID 137489571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).