1,1,1,5,5,5-hexafluoro-N,N-dimethyl-4-methyliminopent-2-en-2-amine

C8H10F6N2 — CID 72560389

IUPAC1,1,1,5,5,5-hexafluoro-N,N-dimethyl-4-methyliminopent-2-en-2-amine
SMILESC/N=C(/C=C(N(C)C)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H10F6N2/c1-15-5(7(9,10)11)4-6(16(2)3)8(12,13)14/h4H,1-3H3/b6-4?,15-5-
InChIKeyNQDXLWUFEYDJMO-QEWLNAPWSA-N
MW248.17 g/mol
LogP2.63
Rot. Bonds2

About 1,1,1,5,5,5-hexafluoro-N,N-dimethyl-4-methyliminopent-2-en-2-amine

1,1,1,5,5,5-hexafluoro-N,N-dimethyl-4-methyliminopent-2-en-2-amine (PubChem CID 72560389) has the molecular formula C8H10F6N2 and a molecular weight of 248.17 g/mol. Its IUPAC name is 1,1,1,5,5,5-hexafluoro-N,N-dimethyl-4-methyliminopent-2-en-2-amine.

Molecular Properties

Compound Name1,1,1,5,5,5-hexafluoro-N,N-dimethyl-4-methyliminopent-2-en-2-amine
PubChem CID72560389
Molecular FormulaC8H10F6N2
Molecular Weight248.17 g/mol
Exact Mass248.07
IUPAC Name1,1,1,5,5,5-hexafluoro-N,N-dimethyl-4-methyliminopent-2-en-2-amine
SMILESC/N=C(/C=C(N(C)C)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H10F6N2/c1-15-5(7(9,10)11)4-6(16(2)3)8(12,13)14/h4H,1-3H3/b6-4?,15-5-
InChIKeyNQDXLWUFEYDJMO-QEWLNAPWSA-N
XLogP2.63
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.17
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,5,5,5-hexafluoro-N,N-dimethyl-4-methyliminopent-2-en-2-amine?
The IUPAC name of 1,1,1,5,5,5-hexafluoro-N,N-dimethyl-4-methyliminopent-2-en-2-amine (CID 72560389) is 1,1,1,5,5,5-hexafluoro-N,N-dimethyl-4-methyliminopent-2-en-2-amine.
What is the SMILES notation for 1,1,1,5,5,5-hexafluoro-N,N-dimethyl-4-methyliminopent-2-en-2-amine?
The canonical SMILES for 1,1,1,5,5,5-hexafluoro-N,N-dimethyl-4-methyliminopent-2-en-2-amine is C/N=C(/C=C(N(C)C)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,5,5,5-hexafluoro-N,N-dimethyl-4-methyliminopent-2-en-2-amine?
The InChIKey is NQDXLWUFEYDJMO-QEWLNAPWSA-N. The full InChI is InChI=1S/C8H10F6N2/c1-15-5(7(9,10)11)4-6(16(2)3)8(12,13)14/h4H,1-3H3/b6-4?,15-5-.
What are the key properties of 1,1,1,5,5,5-hexafluoro-N,N-dimethyl-4-methyliminopent-2-en-2-amine?
1,1,1,5,5,5-hexafluoro-N,N-dimethyl-4-methyliminopent-2-en-2-amine has a molecular weight of 248.17 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,5,5,5-hexafluoro-N,N-dimethyl-4-methyliminopent-2-en-2-amine is sourced from PubChem (CID 72560389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).