2-[cyclopentyl(4,4,4-trifluorobutyl)amino]-N'-hydroxyethanimidamide

C11H20F3N3O — CID 113326450

IUPAC2-[cyclopentyl(4,4,4-trifluorobutyl)amino]-N'-hydroxyethanimidamide
SMILESNC(CN(CCCC(F)(F)F)C1CCCC1)=NO
InChIInChI=1S/C11H20F3N3O/c12-11(13,14)6-3-7-17(8-10(15)16-18)9-4-1-2-5-9/h9,18H,1-8H2,(H2,15,16)
InChIKeyMBAGBGBLXYWYSX-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.32
Rot. Bonds6

About 2-[cyclopentyl(4,4,4-trifluorobutyl)amino]-N'-hydroxyethanimidamide

2-[cyclopentyl(4,4,4-trifluorobutyl)amino]-N'-hydroxyethanimidamide (PubChem CID 113326450) has the molecular formula C11H20F3N3O and a molecular weight of 267.29 g/mol. Its IUPAC name is 2-[cyclopentyl(4,4,4-trifluorobutyl)amino]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[cyclopentyl(4,4,4-trifluorobutyl)amino]-N'-hydroxyethanimidamide
PubChem CID113326450
Molecular FormulaC11H20F3N3O
Molecular Weight267.29 g/mol
Exact Mass267.16
IUPAC Name2-[cyclopentyl(4,4,4-trifluorobutyl)amino]-N'-hydroxyethanimidamide
SMILESNC(CN(CCCC(F)(F)F)C1CCCC1)=NO
InChIInChI=1S/C11H20F3N3O/c12-11(13,14)6-3-7-17(8-10(15)16-18)9-4-1-2-5-9/h9,18H,1-8H2,(H2,15,16)
InChIKeyMBAGBGBLXYWYSX-UHFFFAOYSA-N
XLogP2.32
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.32
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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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl(4,4,4-trifluorobutyl)amino]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[cyclopentyl(4,4,4-trifluorobutyl)amino]-N'-hydroxyethanimidamide (CID 113326450) is 2-[cyclopentyl(4,4,4-trifluorobutyl)amino]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[cyclopentyl(4,4,4-trifluorobutyl)amino]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[cyclopentyl(4,4,4-trifluorobutyl)amino]-N'-hydroxyethanimidamide is NC(CN(CCCC(F)(F)F)C1CCCC1)=NO.
What is the InChIKey of 2-[cyclopentyl(4,4,4-trifluorobutyl)amino]-N'-hydroxyethanimidamide?
The InChIKey is MBAGBGBLXYWYSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N3O/c12-11(13,14)6-3-7-17(8-10(15)16-18)9-4-1-2-5-9/h9,18H,1-8H2,(H2,15,16).
What are the key properties of 2-[cyclopentyl(4,4,4-trifluorobutyl)amino]-N'-hydroxyethanimidamide?
2-[cyclopentyl(4,4,4-trifluorobutyl)amino]-N'-hydroxyethanimidamide has a molecular weight of 267.29 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl(4,4,4-trifluorobutyl)amino]-N'-hydroxyethanimidamide is sourced from PubChem (CID 113326450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).