N'-hydroxy-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboximidamide

C7H12F3N3O — CID 77036256

IUPACN'-hydroxy-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboximidamide
SMILESNC(=NO)C1CCCN1CC(F)(F)F
InChIInChI=1S/C7H12F3N3O/c8-7(9,10)4-13-3-1-2-5(13)6(11)12-14/h5,14H,1-4H2,(H2,11,12)
InChIKeyPNURWYQPNKWIOZ-UHFFFAOYSA-N
MW211.19 g/mol
LogP0.76
Rot. Bonds2

About N'-hydroxy-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboximidamide

N'-hydroxy-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboximidamide (PubChem CID 77036256) has the molecular formula C7H12F3N3O and a molecular weight of 211.19 g/mol. Its IUPAC name is N'-hydroxy-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboximidamide
PubChem CID77036256
Molecular FormulaC7H12F3N3O
Molecular Weight211.19 g/mol
Exact Mass211.09
IUPAC NameN'-hydroxy-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboximidamide
SMILESNC(=NO)C1CCCN1CC(F)(F)F
InChIInChI=1S/C7H12F3N3O/c8-7(9,10)4-13-3-1-2-5(13)6(11)12-14/h5,14H,1-4H2,(H2,11,12)
InChIKeyPNURWYQPNKWIOZ-UHFFFAOYSA-N
XLogP0.76
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.19
LogP ≤ 50.76
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

N'-hydroxy-1-(4,4,4-trifluorobutyl)pyrrolidine-2-carboximidamide
CID 115514096
1-(cyclopropylmethyl)-N'-hydroxypyrrolidine-2-carboximidamide
CID 77036067
1-(3-fluoropropyl)-N'-hydroxypyrrolidine-2-carboximidamide
CID 81106607
1-decyl-N'-hydroxypyrrolidine-2-carboximidamide
CID 77036162
N'-hydroxy-1-(2-propan-2-yloxyethyl)pyrrolidine-2-carboximidamide
CID 77036189
ethyl 1-(2,2,2-trifluoroethyl)piperidine-2-carboxylate
CID 115280563
(2R,3S)-2,3-dimethyl-1-(2,2,2-trifluoroethyl)piperidine
CID 152872015
N'-hydroxy-1-[2-(oxolan-2-yl)ethyl]pyrrolidine-2-carboximidamide
CID 77057970
4-methyl-1-(2,2,2-trifluoroethyl)piperidine-2-carboxamide
CID 126789756
[1-(2,2,2-trifluoroethyl)piperidin-2-yl]methanamine
CID 43187045
(2S)-2-(N'-hydroxycarbamimidoyl)pyrrolidine-1-carboxylic acid
CID 173144791
N'-hydroxy-1-(2-morpholin-4-ylethyl)piperidine-2-carboximidamide
CID 77036137

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboximidamide?
The IUPAC name of N'-hydroxy-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboximidamide (CID 77036256) is N'-hydroxy-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboximidamide.
What is the SMILES notation for N'-hydroxy-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboximidamide?
The canonical SMILES for N'-hydroxy-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboximidamide is NC(=NO)C1CCCN1CC(F)(F)F.
What is the InChIKey of N'-hydroxy-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboximidamide?
The InChIKey is PNURWYQPNKWIOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3N3O/c8-7(9,10)4-13-3-1-2-5(13)6(11)12-14/h5,14H,1-4H2,(H2,11,12).
What are the key properties of N'-hydroxy-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboximidamide?
N'-hydroxy-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboximidamide has a molecular weight of 211.19 g/mol, XLogP of 0.76, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboximidamide is sourced from PubChem (CID 77036256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).