(Z)-1,1,1-trifluoro-N-methyl-4-methyliminobut-2-en-2-amine

C6H9F3N2 — CID 166907318

IUPAC(Z)-1,1,1-trifluoro-N-methyl-4-methyliminobut-2-en-2-amine
SMILESC/N=C/C=C(\NC)C(F)(F)F
InChIInChI=1S/C6H9F3N2/c1-10-4-3-5(11-2)6(7,8)9/h3-4,11H,1-2H3/b5-3-,10-4+
InChIKeyKEATVBOOZZMKOU-FJQHFOHYSA-N
MW166.15 g/mol
LogP1.35
Rot. Bonds2

About (Z)-1,1,1-trifluoro-N-methyl-4-methyliminobut-2-en-2-amine

(Z)-1,1,1-trifluoro-N-methyl-4-methyliminobut-2-en-2-amine (PubChem CID 166907318) has the molecular formula C6H9F3N2 and a molecular weight of 166.15 g/mol. Its IUPAC name is (Z)-1,1,1-trifluoro-N-methyl-4-methyliminobut-2-en-2-amine.

Molecular Properties

Compound Name(Z)-1,1,1-trifluoro-N-methyl-4-methyliminobut-2-en-2-amine
PubChem CID166907318
Molecular FormulaC6H9F3N2
Molecular Weight166.15 g/mol
Exact Mass166.07
IUPAC Name(Z)-1,1,1-trifluoro-N-methyl-4-methyliminobut-2-en-2-amine
SMILESC/N=C/C=C(\NC)C(F)(F)F
InChIInChI=1S/C6H9F3N2/c1-10-4-3-5(11-2)6(7,8)9/h3-4,11H,1-2H3/b5-3-,10-4+
InChIKeyKEATVBOOZZMKOU-FJQHFOHYSA-N
XLogP1.35
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.15
LogP ≤ 51.35
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

2-Methyl-4-(trifluoromethyl)-1,2-dihydropyrimidine
CID 11321140
6-(Trifluoromethyl)-1,2-dihydropyrimidine
CID 19045938
(Z)-1,1,1-trifluoro-4-methyliminobut-2-en-2-amine
CID 88232102
7-(difluoromethyl)-2,3-dihydro-1H-1,4-diazepine
CID 89251616
(E)-1-fluoro-N-methyl-3-methyliminoprop-1-en-1-amine
CID 129103276
(Z)-2-(ethylideneamino)-3,3,3-trifluoro-N-methylprop-1-en-1-amine
CID 134365171
(Z)-4-ethylimino-1,1,1-trifluorobut-2-en-2-amine
CID 134382222
4-Ethylimino-1,1,1-trifluorobut-2-en-2-amine
CID 142308477
(E)-4-(3,3,3-trifluoroprop-1-en-2-ylimino)but-2-en-2-amine
CID 143245790
1,1-Difluoro-4-methyliminobut-2-en-2-amine
CID 146689609
1,1,1-Trifluoro-4-methyliminobut-2-en-2-amine
CID 147541795
4-(2,2,2-Trifluoroethylimino)but-2-en-2-amine
CID 149412864

Frequently Asked Questions

What is the IUPAC name of (Z)-1,1,1-trifluoro-N-methyl-4-methyliminobut-2-en-2-amine?
The IUPAC name of (Z)-1,1,1-trifluoro-N-methyl-4-methyliminobut-2-en-2-amine (CID 166907318) is (Z)-1,1,1-trifluoro-N-methyl-4-methyliminobut-2-en-2-amine.
What is the SMILES notation for (Z)-1,1,1-trifluoro-N-methyl-4-methyliminobut-2-en-2-amine?
The canonical SMILES for (Z)-1,1,1-trifluoro-N-methyl-4-methyliminobut-2-en-2-amine is C/N=C/C=C(\NC)C(F)(F)F.
What is the InChIKey of (Z)-1,1,1-trifluoro-N-methyl-4-methyliminobut-2-en-2-amine?
The InChIKey is KEATVBOOZZMKOU-FJQHFOHYSA-N. The full InChI is InChI=1S/C6H9F3N2/c1-10-4-3-5(11-2)6(7,8)9/h3-4,11H,1-2H3/b5-3-,10-4+.
What are the key properties of (Z)-1,1,1-trifluoro-N-methyl-4-methyliminobut-2-en-2-amine?
(Z)-1,1,1-trifluoro-N-methyl-4-methyliminobut-2-en-2-amine has a molecular weight of 166.15 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1,1,1-trifluoro-N-methyl-4-methyliminobut-2-en-2-amine is sourced from PubChem (CID 166907318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).