N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-3,3,3-trifluoropropanamide

C10H16F3N3O2 — CID 77038106

IUPACN-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-3,3,3-trifluoropropanamide
SMILESNC(CN(C(=O)CC(F)(F)F)C1CCCC1)=NO
InChIInChI=1S/C10H16F3N3O2/c11-10(12,13)5-9(17)16(6-8(14)15-18)7-3-1-2-4-7/h7,18H,1-6H2,(H2,14,15)
InChIKeyYXGFUTAISLZQHW-UHFFFAOYSA-N
MW267.25 g/mol
LogP1.46
Rot. Bonds4

About N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-3,3,3-trifluoropropanamide

N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-3,3,3-trifluoropropanamide (PubChem CID 77038106) has the molecular formula C10H16F3N3O2 and a molecular weight of 267.25 g/mol. Its IUPAC name is N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-3,3,3-trifluoropropanamide.

Molecular Properties

Compound NameN-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-3,3,3-trifluoropropanamide
PubChem CID77038106
Molecular FormulaC10H16F3N3O2
Molecular Weight267.25 g/mol
Exact Mass267.12
IUPAC NameN-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-3,3,3-trifluoropropanamide
SMILESNC(CN(C(=O)CC(F)(F)F)C1CCCC1)=NO
InChIInChI=1S/C10H16F3N3O2/c11-10(12,13)5-9(17)16(6-8(14)15-18)7-3-1-2-4-7/h7,18H,1-6H2,(H2,14,15)
InChIKeyYXGFUTAISLZQHW-UHFFFAOYSA-N
XLogP1.46
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 51.46
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

methyl 2-[cyclopentyl(3,3,3-trifluoropropanoyl)amino]acetate
CID 71969028
N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2-ethoxyacetamide
CID 77044603
N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentylcyclooctanecarboxamide
CID 77052784
N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2-propan-2-yloxyacetamide
CID 103940496
N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2-methylpropanamide
CID 77044650
N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2-propoxyacetamide
CID 107940599
N-(2-bromoethyl)-N-cyclopentyl-3,3,3-trifluoropropanamide
CID 80659104
2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-N'-hydroxyethanimidamide
CID 76912585
N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2-methylbutanamide
CID 77038103
N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-1,1-dioxothiane-2-carboxamide
CID 104521816
2-[cyclohexyl(methyl)amino]-N'-hydroxyethanimidamide
CID 24706703
N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2-methylfuran-3-carboxamide
CID 77044866

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-3,3,3-trifluoropropanamide?
The IUPAC name of N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-3,3,3-trifluoropropanamide (CID 77038106) is N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-3,3,3-trifluoropropanamide.
What is the SMILES notation for N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-3,3,3-trifluoropropanamide?
The canonical SMILES for N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-3,3,3-trifluoropropanamide is NC(CN(C(=O)CC(F)(F)F)C1CCCC1)=NO.
What is the InChIKey of N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-3,3,3-trifluoropropanamide?
The InChIKey is YXGFUTAISLZQHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3O2/c11-10(12,13)5-9(17)16(6-8(14)15-18)7-3-1-2-4-7/h7,18H,1-6H2,(H2,14,15).
What are the key properties of N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-3,3,3-trifluoropropanamide?
N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-3,3,3-trifluoropropanamide has a molecular weight of 267.25 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-3,3,3-trifluoropropanamide is sourced from PubChem (CID 77038106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).