3,3,3-trifluoro-N'-hydroxy-2-[[(1-hydroxycyclopentyl)methylamino]methyl]propanimidamide

C10H18F3N3O2 — CID 103369904

IUPAC3,3,3-trifluoro-N'-hydroxy-2-[[(1-hydroxycyclopentyl)methylamino]methyl]propanimidamide
SMILESNC(=NO)C(CNCC1(O)CCCC1)C(F)(F)F
InChIInChI=1S/C10H18F3N3O2/c11-10(12,13)7(8(14)16-18)5-15-6-9(17)3-1-2-4-9/h7,15,17-18H,1-6H2,(H2,14,16)
InChIKeyMHFPKLDQAYUNRJ-UHFFFAOYSA-N
MW269.27 g/mol
LogP0.81
Rot. Bonds5

About 3,3,3-trifluoro-N'-hydroxy-2-[[(1-hydroxycyclopentyl)methylamino]methyl]propanimidamide

3,3,3-trifluoro-N'-hydroxy-2-[[(1-hydroxycyclopentyl)methylamino]methyl]propanimidamide (PubChem CID 103369904) has the molecular formula C10H18F3N3O2 and a molecular weight of 269.27 g/mol. Its IUPAC name is 3,3,3-trifluoro-N'-hydroxy-2-[[(1-hydroxycyclopentyl)methylamino]methyl]propanimidamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N'-hydroxy-2-[[(1-hydroxycyclopentyl)methylamino]methyl]propanimidamide
PubChem CID103369904
Molecular FormulaC10H18F3N3O2
Molecular Weight269.27 g/mol
Exact Mass269.14
IUPAC Name3,3,3-trifluoro-N'-hydroxy-2-[[(1-hydroxycyclopentyl)methylamino]methyl]propanimidamide
SMILESNC(=NO)C(CNCC1(O)CCCC1)C(F)(F)F
InChIInChI=1S/C10H18F3N3O2/c11-10(12,13)7(8(14)16-18)5-15-6-9(17)3-1-2-4-9/h7,15,17-18H,1-6H2,(H2,14,16)
InChIKeyMHFPKLDQAYUNRJ-UHFFFAOYSA-N
XLogP0.81
TPSA90.87 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 50.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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

2-[[(2-ethyl-2-hydroxybutyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369903
3,3,3-trifluoro-N'-hydroxy-2-[[(1-hydroxycyclohexyl)methylamino]methyl]propanimidamide
CID 103369905
3,3,3-trifluoro-N'-hydroxy-2-[[(1-hydroxy-4-methylcyclohexyl)methylamino]methyl]propanimidamide
CID 103369906
3,3,3-trifluoro-N'-hydroxy-2-[[(1-hydroxycycloheptyl)methylamino]methyl]propanimidamide
CID 103369910
3,3,3-trifluoro-N'-hydroxy-2-[[(2-hydroxycyclopentyl)methylamino]methyl]propanimidamide
CID 103369936
3,3,3-trifluoro-N'-hydroxy-2-[[(2-hydroxy-2,4-dimethylpentyl)amino]methyl]propanimidamide
CID 103369945
3,3,3-trifluoro-N'-hydroxy-2-[[(1-hydroxycyclopentyl)methyl-methylamino]methyl]propanimidamide
CID 103370240
3,3,3-Trifluoro-2-[[(1-hydroxycyclopentyl)methyl-methylamino]methyl]propanimidamide
CID 103370840
3,3,3-trifluoro-N'-hydroxy-2-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]propanimidamide
CID 113807989
3,3,3-trifluoro-N'-hydroxy-2-[[(1-hydroxycyclobutyl)methylamino]methyl]propanimidamide
CID 113808075
3,3,3-trifluoro-N'-hydroxy-2-[[(2-hydroxy-2-methylpentyl)amino]methyl]propanimidamide
CID 114169484
N'-hydroxy-2-[(1-hydroxycyclopentyl)methylamino]ethanimidamide
CID 77056282

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-[[(1-hydroxycyclopentyl)methylamino]methyl]propanimidamide?
The IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-[[(1-hydroxycyclopentyl)methylamino]methyl]propanimidamide (CID 103369904) is 3,3,3-trifluoro-N'-hydroxy-2-[[(1-hydroxycyclopentyl)methylamino]methyl]propanimidamide.
What is the SMILES notation for 3,3,3-trifluoro-N'-hydroxy-2-[[(1-hydroxycyclopentyl)methylamino]methyl]propanimidamide?
The canonical SMILES for 3,3,3-trifluoro-N'-hydroxy-2-[[(1-hydroxycyclopentyl)methylamino]methyl]propanimidamide is NC(=NO)C(CNCC1(O)CCCC1)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N'-hydroxy-2-[[(1-hydroxycyclopentyl)methylamino]methyl]propanimidamide?
The InChIKey is MHFPKLDQAYUNRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N3O2/c11-10(12,13)7(8(14)16-18)5-15-6-9(17)3-1-2-4-9/h7,15,17-18H,1-6H2,(H2,14,16).
What are the key properties of 3,3,3-trifluoro-N'-hydroxy-2-[[(1-hydroxycyclopentyl)methylamino]methyl]propanimidamide?
3,3,3-trifluoro-N'-hydroxy-2-[[(1-hydroxycyclopentyl)methylamino]methyl]propanimidamide has a molecular weight of 269.27 g/mol, XLogP of 0.81, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N'-hydroxy-2-[[(1-hydroxycyclopentyl)methylamino]methyl]propanimidamide is sourced from PubChem (CID 103369904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).