2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide

C9H13F6N3O — CID 103369361

IUPAC2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
SMILESNC(=NO)C(CN(CC(F)(F)F)C1CC1)C(F)(F)F
InChIInChI=1S/C9H13F6N3O/c10-8(11,12)4-18(5-1-2-5)3-6(7(16)17-19)9(13,14)15/h5-6,19H,1-4H2,(H2,16,17)
InChIKeyFVJBNNVWZVNNPM-UHFFFAOYSA-N
MW293.21 g/mol
LogP1.94
Rot. Bonds5

About 2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide

2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide (PubChem CID 103369361) has the molecular formula C9H13F6N3O and a molecular weight of 293.21 g/mol. Its IUPAC name is 2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
PubChem CID103369361
Molecular FormulaC9H13F6N3O
Molecular Weight293.21 g/mol
Exact Mass293.10
IUPAC Name2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
SMILESNC(=NO)C(CN(CC(F)(F)F)C1CC1)C(F)(F)F
InChIInChI=1S/C9H13F6N3O/c10-8(11,12)4-18(5-1-2-5)3-6(7(16)17-19)9(13,14)15/h5-6,19H,1-4H2,(H2,16,17)
InChIKeyFVJBNNVWZVNNPM-UHFFFAOYSA-N
XLogP1.94
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.21
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-hydroxy-2-methyl-3-[methyl(2,2,2-trifluoroethyl)amino]propanimidamide
CID 60890994
3-[ethyl(2,2,2-trifluoroethyl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 76910344
3-[2,2-difluoroethyl(ethyl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 76910355
3-[2,2-difluoroethyl(methyl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 76910852
N'-hydroxy-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanimidamide
CID 76911379
3-[2,2-difluoroethyl(propan-2-yl)amino]-N'-hydroxypropanimidamide
CID 76911385
3-[cyclopropyl(2,2-difluoroethyl)amino]-N'-hydroxypropanimidamide
CID 76911842
3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-N'-hydroxypropanimidamide
CID 76911850
3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 76912507
3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-N'-hydroxybutanimidamide
CID 76912508
N'-hydroxy-2-methyl-3-[propyl(2,2,2-trifluoroethyl)amino]propanimidamide
CID 76912533
N'-hydroxy-2-methyl-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanimidamide
CID 76912560

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
The IUPAC name of 2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide (CID 103369361) is 2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide.
What is the SMILES notation for 2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
The canonical SMILES for 2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide is NC(=NO)C(CN(CC(F)(F)F)C1CC1)C(F)(F)F.
What is the InChIKey of 2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
The InChIKey is FVJBNNVWZVNNPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F6N3O/c10-8(11,12)4-18(5-1-2-5)3-6(7(16)17-19)9(13,14)15/h5-6,19H,1-4H2,(H2,16,17).
What are the key properties of 2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide has a molecular weight of 293.21 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide is sourced from PubChem (CID 103369361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).