methyl 3-amino-N-methyl-2-(trifluoromethyl)prop-2-enimidate

C6H9F3N2O — CID 149233706

IUPACmethyl 3-amino-N-methyl-2-(trifluoromethyl)prop-2-enimidate
SMILESC/N=C(\OC)C(=CN)C(F)(F)F
InChIInChI=1S/C6H9F3N2O/c1-11-5(12-2)4(3-10)6(7,8)9/h3H,10H2,1-2H3/b4-3?,11-5-
InChIKeyKMWNURMMNPEVHS-GCRVMLMDSA-N
MW182.15 g/mol
LogP1.07
Rot. Bonds1

About methyl 3-amino-N-methyl-2-(trifluoromethyl)prop-2-enimidate

methyl 3-amino-N-methyl-2-(trifluoromethyl)prop-2-enimidate (PubChem CID 149233706) has the molecular formula C6H9F3N2O and a molecular weight of 182.15 g/mol. Its IUPAC name is methyl 3-amino-N-methyl-2-(trifluoromethyl)prop-2-enimidate.

Molecular Properties

Compound Namemethyl 3-amino-N-methyl-2-(trifluoromethyl)prop-2-enimidate
PubChem CID149233706
Molecular FormulaC6H9F3N2O
Molecular Weight182.15 g/mol
Exact Mass182.07
IUPAC Namemethyl 3-amino-N-methyl-2-(trifluoromethyl)prop-2-enimidate
SMILESC/N=C(\OC)C(=CN)C(F)(F)F
InChIInChI=1S/C6H9F3N2O/c1-11-5(12-2)4(3-10)6(7,8)9/h3H,10H2,1-2H3/b4-3?,11-5-
InChIKeyKMWNURMMNPEVHS-GCRVMLMDSA-N
XLogP1.07
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.15
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

methyl 2-amino-N-methyl-2-oxoethanimidate
CID 167187226
(E)-3,3,3-trifluoro-2-(methyliminomethyl)prop-1-en-1-amine
CID 138628577
(E)-3-amino-N'-(2-aminoethyl)-2-(trifluoromethyl)prop-2-enimidamide
CID 88968501
methyl 4-(1,1-difluoroethyl)-2-(hydroxymethyl)-N,5-dimethylhepta-2,4-dienimidate
CID 123882470
(E)-4,4,4-trifluoro-3-(1-methoxypropan-2-ylimino)but-1-ene-1,2-diamine
CID 169213418
2,2,2-trifluoro-N'-methylethanimidamide;hydrochloride
CID 121231764
(E)-4,4,4-trifluoro-3-hydroxy-N'-methylbut-2-enimidamide
CID 177427556
(Z)-4,4,4-trifluoro-3-hydroxy-N'-methylbut-2-enimidamide
CID 135889870
methyl 3,3,3-trifluoro-N-methylpropanimidate
CID 123873705
(E)-4,4,4-trifluoro-3-propan-2-yliminobut-1-ene-1,2-diamine
CID 169213599
1,1,1,4,4,4-hexafluoro-2-methoxybut-2-ene
CID 71356319
2-chloro-N-[2-[[(E)-1,3-diamino-2-(trifluoromethyl)prop-2-enylidene]amino]ethyl]acetamide
CID 88968472

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-N-methyl-2-(trifluoromethyl)prop-2-enimidate?
The IUPAC name of methyl 3-amino-N-methyl-2-(trifluoromethyl)prop-2-enimidate (CID 149233706) is methyl 3-amino-N-methyl-2-(trifluoromethyl)prop-2-enimidate.
What is the SMILES notation for methyl 3-amino-N-methyl-2-(trifluoromethyl)prop-2-enimidate?
The canonical SMILES for methyl 3-amino-N-methyl-2-(trifluoromethyl)prop-2-enimidate is C/N=C(\OC)C(=CN)C(F)(F)F.
What is the InChIKey of methyl 3-amino-N-methyl-2-(trifluoromethyl)prop-2-enimidate?
The InChIKey is KMWNURMMNPEVHS-GCRVMLMDSA-N. The full InChI is InChI=1S/C6H9F3N2O/c1-11-5(12-2)4(3-10)6(7,8)9/h3H,10H2,1-2H3/b4-3?,11-5-.
What are the key properties of methyl 3-amino-N-methyl-2-(trifluoromethyl)prop-2-enimidate?
methyl 3-amino-N-methyl-2-(trifluoromethyl)prop-2-enimidate has a molecular weight of 182.15 g/mol, XLogP of 1.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-N-methyl-2-(trifluoromethyl)prop-2-enimidate is sourced from PubChem (CID 149233706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).