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

C8H11F3N2 — CID 163379957

IUPAC(2Z)-1,1,1-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-AUZHDWFHSA-N
MW192.18 g/mol
LogP2.04
Rot. Bonds2

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

(2Z)-1,1,1-trifluoro-4-methyl-3-(methyliminomethyl)penta-2,4-dien-2-amine (PubChem CID 163379957) has the molecular formula C8H11F3N2 and a molecular weight of 192.18 g/mol. Its IUPAC name is (2Z)-1,1,1-trifluoro-4-methyl-3-(methyliminomethyl)penta-2,4-dien-2-amine.

Molecular Properties

Compound Name(2Z)-1,1,1-trifluoro-4-methyl-3-(methyliminomethyl)penta-2,4-dien-2-amine
PubChem CID163379957
Molecular FormulaC8H11F3N2
Molecular Weight192.18 g/mol
Exact Mass192.09
IUPAC Name(2Z)-1,1,1-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-AUZHDWFHSA-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 (2Z)-1,1,1-trifluoro-4-methyl-3-(methyliminomethyl)penta-2,4-dien-2-amine?
The IUPAC name of (2Z)-1,1,1-trifluoro-4-methyl-3-(methyliminomethyl)penta-2,4-dien-2-amine (CID 163379957) is (2Z)-1,1,1-trifluoro-4-methyl-3-(methyliminomethyl)penta-2,4-dien-2-amine.
What is the SMILES notation for (2Z)-1,1,1-trifluoro-4-methyl-3-(methyliminomethyl)penta-2,4-dien-2-amine?
The canonical SMILES for (2Z)-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 (2Z)-1,1,1-trifluoro-4-methyl-3-(methyliminomethyl)penta-2,4-dien-2-amine?
The InChIKey is CCQBMTDQHXJZKA-AUZHDWFHSA-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 (2Z)-1,1,1-trifluoro-4-methyl-3-(methyliminomethyl)penta-2,4-dien-2-amine?
(2Z)-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 (2Z)-1,1,1-trifluoro-4-methyl-3-(methyliminomethyl)penta-2,4-dien-2-amine is sourced from PubChem (CID 163379957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).