(Z)-5,5,5-trifluoro-3-methyl-4-methyliminopent-2-en-2-amine

C7H11F3N2 — CID 162549135

IUPAC(Z)-5,5,5-trifluoro-3-methyl-4-methyliminopent-2-en-2-amine
SMILESC/N=C(C(/C)=C(/C)N)\C(F)(F)F
InChIInChI=1S/C7H11F3N2/c1-4(5(2)11)6(12-3)7(8,9)10/h11H2,1-3H3/b5-4-,12-6-
InChIKeyFMGYMSNNQUKNTJ-NWDTZVKOSA-N
MW180.17 g/mol
LogP1.87
Rot. Bonds1

About (Z)-5,5,5-trifluoro-3-methyl-4-methyliminopent-2-en-2-amine

(Z)-5,5,5-trifluoro-3-methyl-4-methyliminopent-2-en-2-amine (PubChem CID 162549135) has the molecular formula C7H11F3N2 and a molecular weight of 180.17 g/mol. Its IUPAC name is (Z)-5,5,5-trifluoro-3-methyl-4-methyliminopent-2-en-2-amine.

Molecular Properties

Compound Name(Z)-5,5,5-trifluoro-3-methyl-4-methyliminopent-2-en-2-amine
PubChem CID162549135
Molecular FormulaC7H11F3N2
Molecular Weight180.17 g/mol
Exact Mass180.09
IUPAC Name(Z)-5,5,5-trifluoro-3-methyl-4-methyliminopent-2-en-2-amine
SMILESC/N=C(C(/C)=C(/C)N)\C(F)(F)F
InChIInChI=1S/C7H11F3N2/c1-4(5(2)11)6(12-3)7(8,9)10/h11H2,1-3H3/b5-4-,12-6-
InChIKeyFMGYMSNNQUKNTJ-NWDTZVKOSA-N
XLogP1.87
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.17
LogP ≤ 51.87
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-amino-4,4,4-trifluoro-N,2-dimethylbut-2-enimidoyl chloride
CID 147493690
2,2,2-trifluoro-N'-methylethanimidamide;hydrochloride
CID 121231764
(E)-1,1,1,3-tetrafluoro-N-methylhex-3-en-2-imine
CID 166104491
(E)-1,1,1-trifluoro-2-methyliminohex-3-en-3-ol
CID 166104999
N'-hydroxyethanimidamide;N'-methylethanimidamide
CID 172976060
(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
(E)-4,4,4-trifluoro-3-propan-2-yliminobut-1-ene-1,2-diamine
CID 169213599
N'-methylethanimidamide;vanadium
CID 161014708
N'-methylcarbamimidoyl fluoride
CID 141017236
1,1,1,5,5,5-hexafluoro-4-methyliminopent-2-en-2-amine
CID 149273405
4,4,4-trifluoro-N'-methyl-3-oxobutanimidamide
CID 57210956

Frequently Asked Questions

What is the IUPAC name of (Z)-5,5,5-trifluoro-3-methyl-4-methyliminopent-2-en-2-amine?
The IUPAC name of (Z)-5,5,5-trifluoro-3-methyl-4-methyliminopent-2-en-2-amine (CID 162549135) is (Z)-5,5,5-trifluoro-3-methyl-4-methyliminopent-2-en-2-amine.
What is the SMILES notation for (Z)-5,5,5-trifluoro-3-methyl-4-methyliminopent-2-en-2-amine?
The canonical SMILES for (Z)-5,5,5-trifluoro-3-methyl-4-methyliminopent-2-en-2-amine is C/N=C(C(/C)=C(/C)N)\C(F)(F)F.
What is the InChIKey of (Z)-5,5,5-trifluoro-3-methyl-4-methyliminopent-2-en-2-amine?
The InChIKey is FMGYMSNNQUKNTJ-NWDTZVKOSA-N. The full InChI is InChI=1S/C7H11F3N2/c1-4(5(2)11)6(12-3)7(8,9)10/h11H2,1-3H3/b5-4-,12-6-.
What are the key properties of (Z)-5,5,5-trifluoro-3-methyl-4-methyliminopent-2-en-2-amine?
(Z)-5,5,5-trifluoro-3-methyl-4-methyliminopent-2-en-2-amine has a molecular weight of 180.17 g/mol, XLogP of 1.87, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5,5,5-trifluoro-3-methyl-4-methyliminopent-2-en-2-amine is sourced from PubChem (CID 162549135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).