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

C6H12F2N2 — CID 88692730

IUPAC1,5-difluoro-2-methylidenepentane-1,4-diamine
SMILESC=C(CC(N)CF)C(N)F
InChIInChI=1S/C6H12F2N2/c1-4(6(8)10)2-5(9)3-7/h5-6H,1-3,9-10H2
InChIKeyNWNYRYFCGHXLDU-UHFFFAOYSA-N
MW150.17 g/mol
LogP0.48
Rot. Bonds4

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

1,5-difluoro-2-methylidenepentane-1,4-diamine (PubChem CID 88692730) has the molecular formula C6H12F2N2 and a molecular weight of 150.17 g/mol. Its IUPAC name is 1,5-difluoro-2-methylidenepentane-1,4-diamine.

Molecular Properties

Compound Name1,5-difluoro-2-methylidenepentane-1,4-diamine
PubChem CID88692730
Molecular FormulaC6H12F2N2
Molecular Weight150.17 g/mol
Exact Mass150.10
IUPAC Name1,5-difluoro-2-methylidenepentane-1,4-diamine
SMILESC=C(CC(N)CF)C(N)F
InChIInChI=1S/C6H12F2N2/c1-4(6(8)10)2-5(9)3-7/h5-6H,1-3,9-10H2
InChIKeyNWNYRYFCGHXLDU-UHFFFAOYSA-N
XLogP0.48
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.17
LogP ≤ 50.48
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 1,5-difluoro-2-methylidenepentane-1,4-diamine?
The IUPAC name of 1,5-difluoro-2-methylidenepentane-1,4-diamine (CID 88692730) is 1,5-difluoro-2-methylidenepentane-1,4-diamine.
What is the SMILES notation for 1,5-difluoro-2-methylidenepentane-1,4-diamine?
The canonical SMILES for 1,5-difluoro-2-methylidenepentane-1,4-diamine is C=C(CC(N)CF)C(N)F.
What is the InChIKey of 1,5-difluoro-2-methylidenepentane-1,4-diamine?
The InChIKey is NWNYRYFCGHXLDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F2N2/c1-4(6(8)10)2-5(9)3-7/h5-6H,1-3,9-10H2.
What are the key properties of 1,5-difluoro-2-methylidenepentane-1,4-diamine?
1,5-difluoro-2-methylidenepentane-1,4-diamine has a molecular weight of 150.17 g/mol, XLogP of 0.48, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-difluoro-2-methylidenepentane-1,4-diamine is sourced from PubChem (CID 88692730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).