1,6-difluoro-2-methylidenehexane-1,5-diamine

C7H14F2N2 — CID 88692381

IUPAC1,6-difluoro-2-methylidenehexane-1,5-diamine
SMILESC=C(CCC(N)CF)C(N)F
InChIInChI=1S/C7H14F2N2/c1-5(7(9)11)2-3-6(10)4-8/h6-7H,1-4,10-11H2
InChIKeyBDTOMIAMBUJVEW-UHFFFAOYSA-N
MW164.20 g/mol
LogP0.87
Rot. Bonds5

About 1,6-difluoro-2-methylidenehexane-1,5-diamine

1,6-difluoro-2-methylidenehexane-1,5-diamine (PubChem CID 88692381) has the molecular formula C7H14F2N2 and a molecular weight of 164.20 g/mol. Its IUPAC name is 1,6-difluoro-2-methylidenehexane-1,5-diamine.

Molecular Properties

Compound Name1,6-difluoro-2-methylidenehexane-1,5-diamine
PubChem CID88692381
Molecular FormulaC7H14F2N2
Molecular Weight164.20 g/mol
Exact Mass164.11
IUPAC Name1,6-difluoro-2-methylidenehexane-1,5-diamine
SMILESC=C(CCC(N)CF)C(N)F
InChIInChI=1S/C7H14F2N2/c1-5(7(9)11)2-3-6(10)4-8/h6-7H,1-4,10-11H2
InChIKeyBDTOMIAMBUJVEW-UHFFFAOYSA-N
XLogP0.87
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 50.87
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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Related Compounds

5-Fluoro-2-methylidenepentane-1,4-diamine
CID 13109091
5-Fluoro-3-methylidenepentane-1,4-diamine
CID 20461668
5,5-Difluoro-2-methylidenepentane-1,4-diamine
CID 20461670
5,5-Difluoro-3-methylidenepentane-1,4-diamine
CID 20461676
1,1-Difluoro-3-methylideneheptane-2,5-diamine
CID 20461682
1,1-Difluorohept-6-ene-2,5-diamine
CID 20477176
1-Fluorohept-6-ene-2,5-diamine
CID 20477178
4-Fluoro-2-methylidenepentane-1,4-diamine
CID 57285678
6,6-Difluoro-3-methylidenehexane-1,5-diamine
CID 88691799
6-Fluoro-2-methylidenehexane-1,5-diamine
CID 88692026
6-Fluoro-4-methylidenehexane-1,5-diamine
CID 88692136
1-Fluoro-5-methylhex-5-en-2-amine
CID 88692315

Frequently Asked Questions

What is the IUPAC name of 1,6-difluoro-2-methylidenehexane-1,5-diamine?
The IUPAC name of 1,6-difluoro-2-methylidenehexane-1,5-diamine (CID 88692381) is 1,6-difluoro-2-methylidenehexane-1,5-diamine.
What is the SMILES notation for 1,6-difluoro-2-methylidenehexane-1,5-diamine?
The canonical SMILES for 1,6-difluoro-2-methylidenehexane-1,5-diamine is C=C(CCC(N)CF)C(N)F.
What is the InChIKey of 1,6-difluoro-2-methylidenehexane-1,5-diamine?
The InChIKey is BDTOMIAMBUJVEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F2N2/c1-5(7(9)11)2-3-6(10)4-8/h6-7H,1-4,10-11H2.
What are the key properties of 1,6-difluoro-2-methylidenehexane-1,5-diamine?
1,6-difluoro-2-methylidenehexane-1,5-diamine has a molecular weight of 164.20 g/mol, XLogP of 0.87, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-difluoro-2-methylidenehexane-1,5-diamine is sourced from PubChem (CID 88692381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).