4,4,4-trifluoro-2-methyl-3-methyliminobut-1-en-1-amine

C6H9F3N2 — CID 159065807

IUPAC4,4,4-trifluoro-2-methyl-3-methyliminobut-1-en-1-amine
SMILESC/N=C(\C(C)=CN)C(F)(F)F
InChIInChI=1S/C6H9F3N2/c1-4(3-10)5(11-2)6(7,8)9/h3H,10H2,1-2H3/b4-3?,11-5+
InChIKeyRZQTWRYQLQKWOI-PLKYTOJASA-N
MW166.15 g/mol
LogP1.48
Rot. Bonds1

About 4,4,4-trifluoro-2-methyl-3-methyliminobut-1-en-1-amine

4,4,4-trifluoro-2-methyl-3-methyliminobut-1-en-1-amine (PubChem CID 159065807) has the molecular formula C6H9F3N2 and a molecular weight of 166.15 g/mol. Its IUPAC name is 4,4,4-trifluoro-2-methyl-3-methyliminobut-1-en-1-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-2-methyl-3-methyliminobut-1-en-1-amine
PubChem CID159065807
Molecular FormulaC6H9F3N2
Molecular Weight166.15 g/mol
Exact Mass166.07
IUPAC Name4,4,4-trifluoro-2-methyl-3-methyliminobut-1-en-1-amine
SMILESC/N=C(\C(C)=CN)C(F)(F)F
InChIInChI=1S/C6H9F3N2/c1-4(3-10)5(11-2)6(7,8)9/h3H,10H2,1-2H3/b4-3?,11-5+
InChIKeyRZQTWRYQLQKWOI-PLKYTOJASA-N
XLogP1.48
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.15
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-2-N-methyl-4-N-methylidene-3-(trifluoromethyl)but-3-ene-2,4-diimine
CID 123356737
(Z,3E)-3-(difluoromethylimino)-2-methylprop-1-en-1-amine
CID 144443620
[(Z)-4,4-difluoro-3-imino-2-methylbut-1-enyl]-methylazanium
CID 145390071
(2Z)-2-(aminomethylidene)butanimidoyl fluoride
CID 146392689
2-(aminomethylidene)-N,3-dimethylbutanimidoyl fluoride
CID 147306401
(2Z)-2-(aminomethylidene)-N-methylbutanimidoyl fluoride
CID 153364125
(4-Amino-1,1,1-trifluoro-3-methylbut-3-en-2-ylidene)-methylazanium
CID 159065806
(E)-4,4,4-trifluoro-3-methyliminobut-1-ene-1,2-diamine
CID 169213382
(Z)-2-(2,2-difluoroethyliminomethyl)but-1-en-1-amine
CID 171087921
(E)-2-fluoro-3-(1-fluoroethylimino)but-1-en-1-amine
CID 173702974
2-(Difluoromethyliminomethyl)-3-methylbut-1-en-1-amine
CID 173798779
4,4-Difluoro-2-methyl-3-methyliminobut-1-en-1-amine
CID 173963466

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-2-methyl-3-methyliminobut-1-en-1-amine?
The IUPAC name of 4,4,4-trifluoro-2-methyl-3-methyliminobut-1-en-1-amine (CID 159065807) is 4,4,4-trifluoro-2-methyl-3-methyliminobut-1-en-1-amine.
What is the SMILES notation for 4,4,4-trifluoro-2-methyl-3-methyliminobut-1-en-1-amine?
The canonical SMILES for 4,4,4-trifluoro-2-methyl-3-methyliminobut-1-en-1-amine is C/N=C(\C(C)=CN)C(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-2-methyl-3-methyliminobut-1-en-1-amine?
The InChIKey is RZQTWRYQLQKWOI-PLKYTOJASA-N. The full InChI is InChI=1S/C6H9F3N2/c1-4(3-10)5(11-2)6(7,8)9/h3H,10H2,1-2H3/b4-3?,11-5+.
What are the key properties of 4,4,4-trifluoro-2-methyl-3-methyliminobut-1-en-1-amine?
4,4,4-trifluoro-2-methyl-3-methyliminobut-1-en-1-amine has a molecular weight of 166.15 g/mol, XLogP of 1.48, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-2-methyl-3-methyliminobut-1-en-1-amine is sourced from PubChem (CID 159065807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).