1-(3-fluoropropyl)-N'-hydroxypyrrolidine-2-carboximidamide

C8H16FN3O — CID 81106607

IUPAC1-(3-fluoropropyl)-N'-hydroxypyrrolidine-2-carboximidamide
SMILESNC(=NO)C1CCCN1CCCF
InChIInChI=1S/C8H16FN3O/c9-4-2-6-12-5-1-3-7(12)8(10)11-13/h7,13H,1-6H2,(H2,10,11)
InChIKeyNJRQDEZNFNMTNY-UHFFFAOYSA-N
MW189.23 g/mol
LogP0.56
Rot. Bonds4

About 1-(3-fluoropropyl)-N'-hydroxypyrrolidine-2-carboximidamide

1-(3-fluoropropyl)-N'-hydroxypyrrolidine-2-carboximidamide (PubChem CID 81106607) has the molecular formula C8H16FN3O and a molecular weight of 189.23 g/mol. Its IUPAC name is 1-(3-fluoropropyl)-N'-hydroxypyrrolidine-2-carboximidamide.

Molecular Properties

Compound Name1-(3-fluoropropyl)-N'-hydroxypyrrolidine-2-carboximidamide
PubChem CID81106607
Molecular FormulaC8H16FN3O
Molecular Weight189.23 g/mol
Exact Mass189.13
IUPAC Name1-(3-fluoropropyl)-N'-hydroxypyrrolidine-2-carboximidamide
SMILESNC(=NO)C1CCCN1CCCF
InChIInChI=1S/C8H16FN3O/c9-4-2-6-12-5-1-3-7(12)8(10)11-13/h7,13H,1-6H2,(H2,10,11)
InChIKeyNJRQDEZNFNMTNY-UHFFFAOYSA-N
XLogP0.56
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.23
LogP ≤ 50.56
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-decyl-N'-hydroxypyrrolidine-2-carboximidamide
CID 77036162
N'-hydroxy-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboximidamide
CID 77036256
1-(cyclopropylmethyl)-N'-hydroxypyrrolidine-2-carboximidamide
CID 77036067
N'-hydroxy-1-(2-propan-2-yloxyethyl)pyrrolidine-2-carboximidamide
CID 77036189
N'-hydroxy-1-[2-(oxolan-2-yl)ethyl]pyrrolidine-2-carboximidamide
CID 77057970
1-[1-(3-fluoropropyl)piperidin-2-yl]ethanone
CID 81105928
N'-hydroxy-1-(2-morpholin-4-ylethyl)piperidine-2-carboximidamide
CID 77036137
1-(3-fluoropropyl)-3-methylpiperidine-2-carboxylic acid
CID 107072166
N'-hydroxy-1-(2-pyridin-4-ylethyl)piperidine-2-carboximidamide
CID 77041964
N'-hydroxy-1-[2-(oxolan-2-yl)ethyl]piperidine-2-carboximidamide
CID 77057975
(2S)-1-(3-hydroxypropyl)pyrrolidine-2-carboxamide
CID 45116058

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoropropyl)-N'-hydroxypyrrolidine-2-carboximidamide?
The IUPAC name of 1-(3-fluoropropyl)-N'-hydroxypyrrolidine-2-carboximidamide (CID 81106607) is 1-(3-fluoropropyl)-N'-hydroxypyrrolidine-2-carboximidamide.
What is the SMILES notation for 1-(3-fluoropropyl)-N'-hydroxypyrrolidine-2-carboximidamide?
The canonical SMILES for 1-(3-fluoropropyl)-N'-hydroxypyrrolidine-2-carboximidamide is NC(=NO)C1CCCN1CCCF.
What is the InChIKey of 1-(3-fluoropropyl)-N'-hydroxypyrrolidine-2-carboximidamide?
The InChIKey is NJRQDEZNFNMTNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FN3O/c9-4-2-6-12-5-1-3-7(12)8(10)11-13/h7,13H,1-6H2,(H2,10,11).
What are the key properties of 1-(3-fluoropropyl)-N'-hydroxypyrrolidine-2-carboximidamide?
1-(3-fluoropropyl)-N'-hydroxypyrrolidine-2-carboximidamide has a molecular weight of 189.23 g/mol, XLogP of 0.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoropropyl)-N'-hydroxypyrrolidine-2-carboximidamide is sourced from PubChem (CID 81106607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).