1-fluoro-N'-(pyrrolidin-1-ylmethyl)methanediamine

C6H14FN3 — CID 142634109

IUPAC1-fluoro-N'-(pyrrolidin-1-ylmethyl)methanediamine
SMILESNC(F)NCN1CCCC1
InChIInChI=1S/C6H14FN3/c7-6(8)9-5-10-3-1-2-4-10/h6,9H,1-5,8H2
InChIKeyVJCYTOLHHDJXDJ-UHFFFAOYSA-N
MW147.20 g/mol
LogP-0.16
Rot. Bonds3

About 1-fluoro-N'-(pyrrolidin-1-ylmethyl)methanediamine

1-fluoro-N'-(pyrrolidin-1-ylmethyl)methanediamine (PubChem CID 142634109) has the molecular formula C6H14FN3 and a molecular weight of 147.20 g/mol. Its IUPAC name is 1-fluoro-N'-(pyrrolidin-1-ylmethyl)methanediamine.

Molecular Properties

Compound Name1-fluoro-N'-(pyrrolidin-1-ylmethyl)methanediamine
PubChem CID142634109
Molecular FormulaC6H14FN3
Molecular Weight147.20 g/mol
Exact Mass147.12
IUPAC Name1-fluoro-N'-(pyrrolidin-1-ylmethyl)methanediamine
SMILESNC(F)NCN1CCCC1
InChIInChI=1S/C6H14FN3/c7-6(8)9-5-10-3-1-2-4-10/h6,9H,1-5,8H2
InChIKeyVJCYTOLHHDJXDJ-UHFFFAOYSA-N
XLogP-0.16
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.20
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-N'-(pyrrolidin-1-ylmethyl)methanediamine?
The IUPAC name of 1-fluoro-N'-(pyrrolidin-1-ylmethyl)methanediamine (CID 142634109) is 1-fluoro-N'-(pyrrolidin-1-ylmethyl)methanediamine.
What is the SMILES notation for 1-fluoro-N'-(pyrrolidin-1-ylmethyl)methanediamine?
The canonical SMILES for 1-fluoro-N'-(pyrrolidin-1-ylmethyl)methanediamine is NC(F)NCN1CCCC1.
What is the InChIKey of 1-fluoro-N'-(pyrrolidin-1-ylmethyl)methanediamine?
The InChIKey is VJCYTOLHHDJXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14FN3/c7-6(8)9-5-10-3-1-2-4-10/h6,9H,1-5,8H2.
What are the key properties of 1-fluoro-N'-(pyrrolidin-1-ylmethyl)methanediamine?
1-fluoro-N'-(pyrrolidin-1-ylmethyl)methanediamine has a molecular weight of 147.20 g/mol, XLogP of -0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-N'-(pyrrolidin-1-ylmethyl)methanediamine is sourced from PubChem (CID 142634109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).