3-amino-4,4,4-trifluoro-N,2-dimethylbut-2-enimidoyl chloride

C6H8ClF3N2 — CID 147493690

IUPAC3-amino-4,4,4-trifluoro-N,2-dimethylbut-2-enimidoyl chloride
SMILESC/N=C(\Cl)C(C)=C(N)C(F)(F)F
InChIInChI=1S/C6H8ClF3N2/c1-3(5(7)12-2)4(11)6(8,9)10/h11H2,1-2H3/b4-3?,12-5-
InChIKeyPQOGQDUXLGOWFP-CGPLYMGNSA-N
MW200.59 g/mol
LogP2.05
Rot. Bonds1

About 3-amino-4,4,4-trifluoro-N,2-dimethylbut-2-enimidoyl chloride

3-amino-4,4,4-trifluoro-N,2-dimethylbut-2-enimidoyl chloride (PubChem CID 147493690) has the molecular formula C6H8ClF3N2 and a molecular weight of 200.59 g/mol. Its IUPAC name is 3-amino-4,4,4-trifluoro-N,2-dimethylbut-2-enimidoyl chloride.

Molecular Properties

Compound Name3-amino-4,4,4-trifluoro-N,2-dimethylbut-2-enimidoyl chloride
PubChem CID147493690
Molecular FormulaC6H8ClF3N2
Molecular Weight200.59 g/mol
Exact Mass200.03
IUPAC Name3-amino-4,4,4-trifluoro-N,2-dimethylbut-2-enimidoyl chloride
SMILESC/N=C(\Cl)C(C)=C(N)C(F)(F)F
InChIInChI=1S/C6H8ClF3N2/c1-3(5(7)12-2)4(11)6(8,9)10/h11H2,1-2H3/b4-3?,12-5-
InChIKeyPQOGQDUXLGOWFP-CGPLYMGNSA-N
XLogP2.05
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.59
LogP ≤ 52.05
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

3-chloro-N,2-dimethylbut-2-enimidoyl chloride
CID 91351263
(Z)-5,5,5-trifluoro-3-methyl-4-methyliminopent-2-en-2-amine
CID 162549135
(2Z,4E)-1,1,1,6,6,6-hexafluoro-3,4-bis(trifluoromethyl)hexa-2,4-diene-2,5-diamine
CID 177383651
2,2,2-trifluoro-N'-methylethanimidamide;hydrochloride
CID 121231764
3-chloro-1,1,1-trifluoro-4-methylimino-4-pyridin-2-ylbut-2-en-2-amine
CID 153146421
4,4,4-trifluoro-N'-methyl-3-oxobutanimidamide
CID 57210956
(Z)-4,4,4-trifluoro-3-hydroxy-N'-methylbut-2-enimidamide
CID 135889870
(E)-4,4,4-trifluoro-3-hydroxy-N'-methylbut-2-enimidamide
CID 177427556
N'-methylethanimidamide;vanadium
CID 161014708
N'-methylcarbamimidoyl fluoride
CID 141017236
1,1,1,3,4,4,4-heptafluorobut-2-en-2-amine
CID 162536579
[(Z)-1-chloroethylideneamino] 2,2,2-trifluoroacetate
CID 88744395

Frequently Asked Questions

What is the IUPAC name of 3-amino-4,4,4-trifluoro-N,2-dimethylbut-2-enimidoyl chloride?
The IUPAC name of 3-amino-4,4,4-trifluoro-N,2-dimethylbut-2-enimidoyl chloride (CID 147493690) is 3-amino-4,4,4-trifluoro-N,2-dimethylbut-2-enimidoyl chloride.
What is the SMILES notation for 3-amino-4,4,4-trifluoro-N,2-dimethylbut-2-enimidoyl chloride?
The canonical SMILES for 3-amino-4,4,4-trifluoro-N,2-dimethylbut-2-enimidoyl chloride is C/N=C(\Cl)C(C)=C(N)C(F)(F)F.
What is the InChIKey of 3-amino-4,4,4-trifluoro-N,2-dimethylbut-2-enimidoyl chloride?
The InChIKey is PQOGQDUXLGOWFP-CGPLYMGNSA-N. The full InChI is InChI=1S/C6H8ClF3N2/c1-3(5(7)12-2)4(11)6(8,9)10/h11H2,1-2H3/b4-3?,12-5-.
What are the key properties of 3-amino-4,4,4-trifluoro-N,2-dimethylbut-2-enimidoyl chloride?
3-amino-4,4,4-trifluoro-N,2-dimethylbut-2-enimidoyl chloride has a molecular weight of 200.59 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4,4,4-trifluoro-N,2-dimethylbut-2-enimidoyl chloride is sourced from PubChem (CID 147493690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).