4-cyclopropyl-1,1,1-trifluoro-4-iodoiminobut-2-en-2-amine

C7H8F3IN2 — CID 147169530

IUPAC4-cyclopropyl-1,1,1-trifluoro-4-iodoiminobut-2-en-2-amine
SMILESNC(=CC(=NI)C1CC1)C(F)(F)F
InChIInChI=1S/C7H8F3IN2/c8-7(9,10)6(12)3-5(13-11)4-1-2-4/h3-4H,1-2,12H2
InChIKeyAEZUPMWGQKFRGU-UHFFFAOYSA-N
MW304.05 g/mol
LogP2.59
Rot. Bonds2

About 4-cyclopropyl-1,1,1-trifluoro-4-iodoiminobut-2-en-2-amine

4-cyclopropyl-1,1,1-trifluoro-4-iodoiminobut-2-en-2-amine (PubChem CID 147169530) has the molecular formula C7H8F3IN2 and a molecular weight of 304.05 g/mol. Its IUPAC name is 4-cyclopropyl-1,1,1-trifluoro-4-iodoiminobut-2-en-2-amine.

Molecular Properties

Compound Name4-cyclopropyl-1,1,1-trifluoro-4-iodoiminobut-2-en-2-amine
PubChem CID147169530
Molecular FormulaC7H8F3IN2
Molecular Weight304.05 g/mol
Exact Mass303.97
IUPAC Name4-cyclopropyl-1,1,1-trifluoro-4-iodoiminobut-2-en-2-amine
SMILESNC(=CC(=NI)C1CC1)C(F)(F)F
InChIInChI=1S/C7H8F3IN2/c8-7(9,10)6(12)3-5(13-11)4-1-2-4/h3-4H,1-2,12H2
InChIKeyAEZUPMWGQKFRGU-UHFFFAOYSA-N
XLogP2.59
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.05
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[6-[(3-amino-1-cyclopropyl-4,4,4-trifluorobut-2-enylidene)amino]-3-pyridinyl]-4-methylpyrimidine-5-carboxamide
CID 147826390
1,1,1,5,5,5-hexafluoro-4-methyliminopent-2-en-2-amine
CID 149273405
4-[(3-amino-1,3-dicyclopropylprop-2-enylidene)amino]aniline
CID 147520544
1,1,1-trifluoro-4-hydrazinylidenebut-2-en-2-amine
CID 149218968
(Z,2Z)-4-amino-2-[amino(azepan-1-yl)methylidene]-5,5,5-trifluoropent-3-enoic acid
CID 176694237
4-cyclopropyl-5,5,5-trifluoropent-3-en-2-one
CID 123943535
4-amino-5,5,5-trifluoropent-3-enoic acid
CID 151824390
N'-(4,4,4-trifluorobutyl)cyclopropanecarboximidamide
CID 115522336
N'-hydroxycyclopropanecarboximidamide;hydrochloride
CID 53395019
(Z)-amino-[amino(cyclopropyl)methylidene]azanium
CID 138402621
[(3S)-3-amino-4-[(3S)-2-hydroxypyrrolidin-3-yl]-2-oxobutyl] 3-amino-4,4,4-trifluoro-N-methylbut-2-enimidate
CID 165393968
S-[4-[[3-amino-4,4,4-trifluoro-1-(4-methylphenyl)but-2-enylidene]amino]phenyl]thiohydroxylamine
CID 174027479

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-1,1,1-trifluoro-4-iodoiminobut-2-en-2-amine?
The IUPAC name of 4-cyclopropyl-1,1,1-trifluoro-4-iodoiminobut-2-en-2-amine (CID 147169530) is 4-cyclopropyl-1,1,1-trifluoro-4-iodoiminobut-2-en-2-amine.
What is the SMILES notation for 4-cyclopropyl-1,1,1-trifluoro-4-iodoiminobut-2-en-2-amine?
The canonical SMILES for 4-cyclopropyl-1,1,1-trifluoro-4-iodoiminobut-2-en-2-amine is NC(=CC(=NI)C1CC1)C(F)(F)F.
What is the InChIKey of 4-cyclopropyl-1,1,1-trifluoro-4-iodoiminobut-2-en-2-amine?
The InChIKey is AEZUPMWGQKFRGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3IN2/c8-7(9,10)6(12)3-5(13-11)4-1-2-4/h3-4H,1-2,12H2.
What are the key properties of 4-cyclopropyl-1,1,1-trifluoro-4-iodoiminobut-2-en-2-amine?
4-cyclopropyl-1,1,1-trifluoro-4-iodoiminobut-2-en-2-amine has a molecular weight of 304.05 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-1,1,1-trifluoro-4-iodoiminobut-2-en-2-amine is sourced from PubChem (CID 147169530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).