4-fluoro-2-methylidenepentane-1,4-diamine

C6H13FN2 — CID 57285678

IUPAC4-fluoro-2-methylidenepentane-1,4-diamine
SMILESC=C(CN)CC(C)(N)F
InChIInChI=1S/C6H13FN2/c1-5(4-8)3-6(2,7)9/h1,3-4,8-9H2,2H3
InChIKeyPJWQPIYWFWVKQX-UHFFFAOYSA-N
MW132.18 g/mol
LogP0.54
Rot. Bonds3

About 4-fluoro-2-methylidenepentane-1,4-diamine

4-fluoro-2-methylidenepentane-1,4-diamine (PubChem CID 57285678) has the molecular formula C6H13FN2 and a molecular weight of 132.18 g/mol. Its IUPAC name is 4-fluoro-2-methylidenepentane-1,4-diamine.

Molecular Properties

Compound Name4-fluoro-2-methylidenepentane-1,4-diamine
PubChem CID57285678
Molecular FormulaC6H13FN2
Molecular Weight132.18 g/mol
Exact Mass132.11
IUPAC Name4-fluoro-2-methylidenepentane-1,4-diamine
SMILESC=C(CN)CC(C)(N)F
InChIInChI=1S/C6H13FN2/c1-5(4-8)3-6(2,7)9/h1,3-4,8-9H2,2H3
InChIKeyPJWQPIYWFWVKQX-UHFFFAOYSA-N
XLogP0.54
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.18
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methylidenepentane-1,4-diamine?
The IUPAC name of 4-fluoro-2-methylidenepentane-1,4-diamine (CID 57285678) is 4-fluoro-2-methylidenepentane-1,4-diamine.
What is the SMILES notation for 4-fluoro-2-methylidenepentane-1,4-diamine?
The canonical SMILES for 4-fluoro-2-methylidenepentane-1,4-diamine is C=C(CN)CC(C)(N)F.
What is the InChIKey of 4-fluoro-2-methylidenepentane-1,4-diamine?
The InChIKey is PJWQPIYWFWVKQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13FN2/c1-5(4-8)3-6(2,7)9/h1,3-4,8-9H2,2H3.
What are the key properties of 4-fluoro-2-methylidenepentane-1,4-diamine?
4-fluoro-2-methylidenepentane-1,4-diamine has a molecular weight of 132.18 g/mol, XLogP of 0.54, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methylidenepentane-1,4-diamine is sourced from PubChem (CID 57285678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).