3,3,3-trifluoro-N'-hydroxy-2-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]propanimidamide

C8H11F6N3O — CID 106213697

IUPAC3,3,3-trifluoro-N'-hydroxy-2-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]propanimidamide
SMILESNC(=NO)C(CNC1(C(F)(F)F)CC1)C(F)(F)F
InChIInChI=1S/C8H11F6N3O/c9-7(10,11)4(5(15)17-18)3-16-6(1-2-6)8(12,13)14/h4,16,18H,1-3H2,(H2,15,17)
InChIKeyJSOSMNMTMOZEDY-UHFFFAOYSA-N
MW279.18 g/mol
LogP1.60
Rot. Bonds4

About 3,3,3-trifluoro-N'-hydroxy-2-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]propanimidamide

3,3,3-trifluoro-N'-hydroxy-2-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]propanimidamide (PubChem CID 106213697) has the molecular formula C8H11F6N3O and a molecular weight of 279.18 g/mol. Its IUPAC name is 3,3,3-trifluoro-N'-hydroxy-2-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]propanimidamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N'-hydroxy-2-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]propanimidamide
PubChem CID106213697
Molecular FormulaC8H11F6N3O
Molecular Weight279.18 g/mol
Exact Mass279.08
IUPAC Name3,3,3-trifluoro-N'-hydroxy-2-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]propanimidamide
SMILESNC(=NO)C(CNC1(C(F)(F)F)CC1)C(F)(F)F
InChIInChI=1S/C8H11F6N3O/c9-7(10,11)4(5(15)17-18)3-16-6(1-2-6)8(12,13)14/h4,16,18H,1-3H2,(H2,15,17)
InChIKeyJSOSMNMTMOZEDY-UHFFFAOYSA-N
XLogP1.60
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.18
LogP ≤ 51.60
H-Bond Donors ≤ 53
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-(2,2,2-trifluoroethylamino)propanimidamide
CID 77029332
N'-hydroxy-2-methyl-3-(3,3,3-trifluoropropylamino)propanimidamide
CID 77032721
2-[[cyclopropyl(methyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369245
2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369361
2-[(cyclopropylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369458
3,3,3-trifluoro-N'-hydroxy-2-[(propan-2-ylamino)methyl]propanimidamide
CID 103369459
2-(ethylaminomethyl)-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369460
3,3,3-trifluoro-N'-hydroxy-2-[(2-methylbutan-2-ylamino)methyl]propanimidamide
CID 103369473
2-[(butan-2-ylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369475
3,3,3-trifluoro-N'-hydroxy-2-[(2-methylpropylamino)methyl]propanimidamide
CID 103369476
2-[(cyclopropylmethylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369479
3,3,3-trifluoro-N'-hydroxy-2-(propylaminomethyl)propanimidamide
CID 103369564

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]propanimidamide?
The IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]propanimidamide (CID 106213697) is 3,3,3-trifluoro-N'-hydroxy-2-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]propanimidamide.
What is the SMILES notation for 3,3,3-trifluoro-N'-hydroxy-2-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]propanimidamide?
The canonical SMILES for 3,3,3-trifluoro-N'-hydroxy-2-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]propanimidamide is NC(=NO)C(CNC1(C(F)(F)F)CC1)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N'-hydroxy-2-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]propanimidamide?
The InChIKey is JSOSMNMTMOZEDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F6N3O/c9-7(10,11)4(5(15)17-18)3-16-6(1-2-6)8(12,13)14/h4,16,18H,1-3H2,(H2,15,17).
What are the key properties of 3,3,3-trifluoro-N'-hydroxy-2-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]propanimidamide?
3,3,3-trifluoro-N'-hydroxy-2-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]propanimidamide has a molecular weight of 279.18 g/mol, XLogP of 1.60, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N'-hydroxy-2-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]propanimidamide is sourced from PubChem (CID 106213697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).