1,1,1-trifluoro-4-methyl-3-(methyliminomethyl)penta-2,4-dien-2-amine

C8H11F3N2 — CID 174152738

IUPAC1,1,1-trifluoro-4-methyl-3-(methyliminomethyl)penta-2,4-dien-2-amine
SMILESC=C(C)C(/C=N/C)=C(N)C(F)(F)F
InChIInChI=1S/C8H11F3N2/c1-5(2)6(4-13-3)7(12)8(9,10)11/h4H,1,12H2,2-3H3/b7-6?,13-4+
InChIKeyCCQBMTDQHXJZKA-ONAZRHRXSA-N
MW192.18 g/mol
LogP2.04
Rot. Bonds2

About 1,1,1-trifluoro-4-methyl-3-(methyliminomethyl)penta-2,4-dien-2-amine

1,1,1-trifluoro-4-methyl-3-(methyliminomethyl)penta-2,4-dien-2-amine (PubChem CID 174152738) has the molecular formula C8H11F3N2 and a molecular weight of 192.18 g/mol. Its IUPAC name is 1,1,1-trifluoro-4-methyl-3-(methyliminomethyl)penta-2,4-dien-2-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-4-methyl-3-(methyliminomethyl)penta-2,4-dien-2-amine
PubChem CID174152738
Molecular FormulaC8H11F3N2
Molecular Weight192.18 g/mol
Exact Mass192.09
IUPAC Name1,1,1-trifluoro-4-methyl-3-(methyliminomethyl)penta-2,4-dien-2-amine
SMILESC=C(C)C(/C=N/C)=C(N)C(F)(F)F
InChIInChI=1S/C8H11F3N2/c1-5(2)6(4-13-3)7(12)8(9,10)11/h4H,1,12H2,2-3H3/b7-6?,13-4+
InChIKeyCCQBMTDQHXJZKA-ONAZRHRXSA-N
XLogP2.04
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-4-methyl-3-(methyliminomethyl)penta-2,4-dien-2-amine?
The IUPAC name of 1,1,1-trifluoro-4-methyl-3-(methyliminomethyl)penta-2,4-dien-2-amine (CID 174152738) is 1,1,1-trifluoro-4-methyl-3-(methyliminomethyl)penta-2,4-dien-2-amine.
What is the SMILES notation for 1,1,1-trifluoro-4-methyl-3-(methyliminomethyl)penta-2,4-dien-2-amine?
The canonical SMILES for 1,1,1-trifluoro-4-methyl-3-(methyliminomethyl)penta-2,4-dien-2-amine is C=C(C)C(/C=N/C)=C(N)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-4-methyl-3-(methyliminomethyl)penta-2,4-dien-2-amine?
The InChIKey is CCQBMTDQHXJZKA-ONAZRHRXSA-N. The full InChI is InChI=1S/C8H11F3N2/c1-5(2)6(4-13-3)7(12)8(9,10)11/h4H,1,12H2,2-3H3/b7-6?,13-4+.
What are the key properties of 1,1,1-trifluoro-4-methyl-3-(methyliminomethyl)penta-2,4-dien-2-amine?
1,1,1-trifluoro-4-methyl-3-(methyliminomethyl)penta-2,4-dien-2-amine has a molecular weight of 192.18 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-4-methyl-3-(methyliminomethyl)penta-2,4-dien-2-amine is sourced from PubChem (CID 174152738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).