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

C6H13FN2 — CID 13109091

IUPAC5-fluoro-2-methylidenepentane-1,4-diamine
SMILESC=C(CN)CC(N)CF
InChIInChI=1S/C6H13FN2/c1-5(4-8)2-6(9)3-7/h6H,1-4,8-9H2
InChIKeyARHMPFDECSHDNZ-UHFFFAOYSA-N
MW132.18 g/mol
LogP0.19
Rot. Bonds4

About 5-fluoro-2-methylidenepentane-1,4-diamine

5-fluoro-2-methylidenepentane-1,4-diamine (PubChem CID 13109091) has the molecular formula C6H13FN2 and a molecular weight of 132.18 g/mol. Its IUPAC name is 5-fluoro-2-methylidenepentane-1,4-diamine.

Molecular Properties

Compound Name5-fluoro-2-methylidenepentane-1,4-diamine
PubChem CID13109091
Molecular FormulaC6H13FN2
Molecular Weight132.18 g/mol
Exact Mass132.11
IUPAC Name5-fluoro-2-methylidenepentane-1,4-diamine
SMILESC=C(CN)CC(N)CF
InChIInChI=1S/C6H13FN2/c1-5(4-8)2-6(9)3-7/h6H,1-4,8-9H2
InChIKeyARHMPFDECSHDNZ-UHFFFAOYSA-N
XLogP0.19
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.18
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methylidenepentane-1,4-diamine?
The IUPAC name of 5-fluoro-2-methylidenepentane-1,4-diamine (CID 13109091) is 5-fluoro-2-methylidenepentane-1,4-diamine.
What is the SMILES notation for 5-fluoro-2-methylidenepentane-1,4-diamine?
The canonical SMILES for 5-fluoro-2-methylidenepentane-1,4-diamine is C=C(CN)CC(N)CF.
What is the InChIKey of 5-fluoro-2-methylidenepentane-1,4-diamine?
The InChIKey is ARHMPFDECSHDNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13FN2/c1-5(4-8)2-6(9)3-7/h6H,1-4,8-9H2.
What are the key properties of 5-fluoro-2-methylidenepentane-1,4-diamine?
5-fluoro-2-methylidenepentane-1,4-diamine has a molecular weight of 132.18 g/mol, XLogP of 0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methylidenepentane-1,4-diamine is sourced from PubChem (CID 13109091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).