6,6-difluoro-4-methylidenehexane-1,5-diamine

C7H14F2N2 — CID 88693115

IUPAC6,6-difluoro-4-methylidenehexane-1,5-diamine
SMILESC=C(CCCN)C(N)C(F)F
InChIInChI=1S/C7H14F2N2/c1-5(3-2-4-10)6(11)7(8)9/h6-7H,1-4,10-11H2
InChIKeyVKLYKOCEUNTGNI-UHFFFAOYSA-N
MW164.20 g/mol
LogP0.87
Rot. Bonds5

About 6,6-difluoro-4-methylidenehexane-1,5-diamine

6,6-difluoro-4-methylidenehexane-1,5-diamine (PubChem CID 88693115) has the molecular formula C7H14F2N2 and a molecular weight of 164.20 g/mol. Its IUPAC name is 6,6-difluoro-4-methylidenehexane-1,5-diamine.

Molecular Properties

Compound Name6,6-difluoro-4-methylidenehexane-1,5-diamine
PubChem CID88693115
Molecular FormulaC7H14F2N2
Molecular Weight164.20 g/mol
Exact Mass164.11
IUPAC Name6,6-difluoro-4-methylidenehexane-1,5-diamine
SMILESC=C(CCCN)C(N)C(F)F
InChIInChI=1S/C7H14F2N2/c1-5(3-2-4-10)6(11)7(8)9/h6-7H,1-4,10-11H2
InChIKeyVKLYKOCEUNTGNI-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'}

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Frequently Asked Questions

What is the IUPAC name of 6,6-difluoro-4-methylidenehexane-1,5-diamine?
The IUPAC name of 6,6-difluoro-4-methylidenehexane-1,5-diamine (CID 88693115) is 6,6-difluoro-4-methylidenehexane-1,5-diamine.
What is the SMILES notation for 6,6-difluoro-4-methylidenehexane-1,5-diamine?
The canonical SMILES for 6,6-difluoro-4-methylidenehexane-1,5-diamine is C=C(CCCN)C(N)C(F)F.
What is the InChIKey of 6,6-difluoro-4-methylidenehexane-1,5-diamine?
The InChIKey is VKLYKOCEUNTGNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F2N2/c1-5(3-2-4-10)6(11)7(8)9/h6-7H,1-4,10-11H2.
What are the key properties of 6,6-difluoro-4-methylidenehexane-1,5-diamine?
6,6-difluoro-4-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 6,6-difluoro-4-methylidenehexane-1,5-diamine is sourced from PubChem (CID 88693115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).