1,1-difluoro-3-methylhex-3-ene-2,5-diamine

C7H14F2N2 — CID 54193490

IUPAC1,1-difluoro-3-methylhex-3-ene-2,5-diamine
SMILESCC(=CC(C)N)C(N)C(F)F
InChIInChI=1S/C7H14F2N2/c1-4(3-5(2)10)6(11)7(8)9/h3,5-7H,10-11H2,1-2H3
InChIKeyPKDMHZXVHXULQP-UHFFFAOYSA-N
MW164.20 g/mol
LogP0.87
Rot. Bonds3

About 1,1-difluoro-3-methylhex-3-ene-2,5-diamine

1,1-difluoro-3-methylhex-3-ene-2,5-diamine (PubChem CID 54193490) has the molecular formula C7H14F2N2 and a molecular weight of 164.20 g/mol. Its IUPAC name is 1,1-difluoro-3-methylhex-3-ene-2,5-diamine.

Molecular Properties

Compound Name1,1-difluoro-3-methylhex-3-ene-2,5-diamine
PubChem CID54193490
Molecular FormulaC7H14F2N2
Molecular Weight164.20 g/mol
Exact Mass164.11
IUPAC Name1,1-difluoro-3-methylhex-3-ene-2,5-diamine
SMILESCC(=CC(C)N)C(N)C(F)F
InChIInChI=1S/C7H14F2N2/c1-4(3-5(2)10)6(11)7(8)9/h3,5-7H,10-11H2,1-2H3
InChIKeyPKDMHZXVHXULQP-UHFFFAOYSA-N
XLogP0.87
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
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 1,1-difluoro-3-methylhex-3-ene-2,5-diamine?
The IUPAC name of 1,1-difluoro-3-methylhex-3-ene-2,5-diamine (CID 54193490) is 1,1-difluoro-3-methylhex-3-ene-2,5-diamine.
What is the SMILES notation for 1,1-difluoro-3-methylhex-3-ene-2,5-diamine?
The canonical SMILES for 1,1-difluoro-3-methylhex-3-ene-2,5-diamine is CC(=CC(C)N)C(N)C(F)F.
What is the InChIKey of 1,1-difluoro-3-methylhex-3-ene-2,5-diamine?
The InChIKey is PKDMHZXVHXULQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F2N2/c1-4(3-5(2)10)6(11)7(8)9/h3,5-7H,10-11H2,1-2H3.
What are the key properties of 1,1-difluoro-3-methylhex-3-ene-2,5-diamine?
1,1-difluoro-3-methylhex-3-ene-2,5-diamine has a molecular weight of 164.20 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-3-methylhex-3-ene-2,5-diamine is sourced from PubChem (CID 54193490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).