N'-hydroxy-1-(trifluoromethyl)cyclopentane-1-carboximidamide

C7H11F3N2O — CID 178191654

IUPACN'-hydroxy-1-(trifluoromethyl)cyclopentane-1-carboximidamide
SMILESN/C(=N\O)C1(C(F)(F)F)CCCC1
InChIInChI=1S/C7H11F3N2O/c8-7(9,10)6(5(11)12-13)3-1-2-4-6/h13H,1-4H2,(H2,11,12)
InChIKeyVYRNUOMGLFREJL-UHFFFAOYSA-N
MW196.17 g/mol
LogP1.86
Rot. Bonds1

About N'-hydroxy-1-(trifluoromethyl)cyclopentane-1-carboximidamide

N'-hydroxy-1-(trifluoromethyl)cyclopentane-1-carboximidamide (PubChem CID 178191654) has the molecular formula C7H11F3N2O and a molecular weight of 196.17 g/mol. Its IUPAC name is N'-hydroxy-1-(trifluoromethyl)cyclopentane-1-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-1-(trifluoromethyl)cyclopentane-1-carboximidamide
PubChem CID178191654
Molecular FormulaC7H11F3N2O
Molecular Weight196.17 g/mol
Exact Mass196.08
IUPAC NameN'-hydroxy-1-(trifluoromethyl)cyclopentane-1-carboximidamide
SMILESN/C(=N\O)C1(C(F)(F)F)CCCC1
InChIInChI=1S/C7H11F3N2O/c8-7(9,10)6(5(11)12-13)3-1-2-4-6/h13H,1-4H2,(H2,11,12)
InChIKeyVYRNUOMGLFREJL-UHFFFAOYSA-N
XLogP1.86
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.17
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-[1-(trifluoromethyl)cyclopropyl]ethanimidamide
CID 169105569
N'-hydroxy-2-[[1-(trifluoromethyl)cyclopropyl]amino]ethanimidamide
CID 106213717
N'-hydroxy-1-phenylcyclopentane-1-carboximidamide
CID 87165177
4,4,4-trifluoro-N-[1-(N'-hydroxycarbamimidoyl)cycloheptyl]butanamide
CID 77099659
1-(N'-hydroxycarbamimidoyl)-N-(1-methylcyclohexyl)cyclopropane-1-carboxamide
CID 80597111
1-methyl-1-(trifluoromethyl)cyclopentane
CID 45098338
1-(trifluoromethyl)cyclopentan-1-ol
CID 23506080
1-(N'-hydroxycarbamimidoyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane-1-carboxamide
CID 77009358
1-(3-methylbut-1-en-2-yl)-1-(trifluoromethyl)cyclobutane
CID 158696217
2,2-difluoro-N'-hydroxypropanimidamide
CID 55285542
lithium 1-methylcyclopentan-1-ol
CID 18764027
N-(4-fluorophenyl)-1-(N'-hydroxycarbamimidoyl)-N-methylcyclopentane-1-carboxamide
CID 76930717

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-1-(trifluoromethyl)cyclopentane-1-carboximidamide?
The IUPAC name of N'-hydroxy-1-(trifluoromethyl)cyclopentane-1-carboximidamide (CID 178191654) is N'-hydroxy-1-(trifluoromethyl)cyclopentane-1-carboximidamide.
What is the SMILES notation for N'-hydroxy-1-(trifluoromethyl)cyclopentane-1-carboximidamide?
The canonical SMILES for N'-hydroxy-1-(trifluoromethyl)cyclopentane-1-carboximidamide is N/C(=N\O)C1(C(F)(F)F)CCCC1.
What is the InChIKey of N'-hydroxy-1-(trifluoromethyl)cyclopentane-1-carboximidamide?
The InChIKey is VYRNUOMGLFREJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N2O/c8-7(9,10)6(5(11)12-13)3-1-2-4-6/h13H,1-4H2,(H2,11,12).
What are the key properties of N'-hydroxy-1-(trifluoromethyl)cyclopentane-1-carboximidamide?
N'-hydroxy-1-(trifluoromethyl)cyclopentane-1-carboximidamide has a molecular weight of 196.17 g/mol, XLogP of 1.86, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-1-(trifluoromethyl)cyclopentane-1-carboximidamide is sourced from PubChem (CID 178191654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).