2-(3-fluoropyrrolidin-1-yl)butanehydrazide

C8H16FN3O — CID 164657946

IUPAC2-(3-fluoropyrrolidin-1-yl)butanehydrazide
SMILESCCC(C(=O)NN)N1CCC(F)C1
InChIInChI=1S/C8H16FN3O/c1-2-7(8(13)11-10)12-4-3-6(9)5-12/h6-7H,2-5,10H2,1H3,(H,11,13)
InChIKeyKXLAGHSKFLUNDV-UHFFFAOYSA-N
MW189.23 g/mol
LogP-0.20
Rot. Bonds3

About 2-(3-fluoropyrrolidin-1-yl)butanehydrazide

2-(3-fluoropyrrolidin-1-yl)butanehydrazide (PubChem CID 164657946) has the molecular formula C8H16FN3O and a molecular weight of 189.23 g/mol. Its IUPAC name is 2-(3-fluoropyrrolidin-1-yl)butanehydrazide.

Molecular Properties

Compound Name2-(3-fluoropyrrolidin-1-yl)butanehydrazide
PubChem CID164657946
Molecular FormulaC8H16FN3O
Molecular Weight189.23 g/mol
Exact Mass189.13
IUPAC Name2-(3-fluoropyrrolidin-1-yl)butanehydrazide
SMILESCCC(C(=O)NN)N1CCC(F)C1
InChIInChI=1S/C8H16FN3O/c1-2-7(8(13)11-10)12-4-3-6(9)5-12/h6-7H,2-5,10H2,1H3,(H,11,13)
InChIKeyKXLAGHSKFLUNDV-UHFFFAOYSA-N
XLogP-0.20
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.23
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(2-oxopyrrolidin-1-yl)butanehydrazide
CID 11148119
(2S,4S)-4-fluoro-1-methylpyrrolidine-2-carbohydrazide
CID 90180617
N-[1-(2-acetylhydrazinyl)-1-oxobutan-2-yl]-N-ethylcarbamoyl fluoride
CID 145324111
2-[Methyl(2,2,2-trifluoroethyl)amino]butanehydrazide
CID 63574092
3-Methyl-2-[methyl(2,2,2-trifluoroethyl)amino]butanehydrazide
CID 63574282
2-[Ethyl(2,2,2-trifluoroethyl)amino]-3-methylbutanehydrazide
CID 63583001
2-[Propan-2-yl(2,2,2-trifluoroethyl)amino]propanehydrazide
CID 63583925
2-[Propan-2-yl(2,2,2-trifluoroethyl)amino]butanehydrazide
CID 63584109
2-[Cyclopropyl(2,2,2-trifluoroethyl)amino]butanehydrazide
CID 63584291
3-Methyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanehydrazide
CID 63584472
2-[Propyl(2,2,2-trifluoroethyl)amino]propanehydrazide
CID 63584477
2-[Propyl(2,2,2-trifluoroethyl)amino]butanehydrazide
CID 63584480

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoropyrrolidin-1-yl)butanehydrazide?
The IUPAC name of 2-(3-fluoropyrrolidin-1-yl)butanehydrazide (CID 164657946) is 2-(3-fluoropyrrolidin-1-yl)butanehydrazide.
What is the SMILES notation for 2-(3-fluoropyrrolidin-1-yl)butanehydrazide?
The canonical SMILES for 2-(3-fluoropyrrolidin-1-yl)butanehydrazide is CCC(C(=O)NN)N1CCC(F)C1.
What is the InChIKey of 2-(3-fluoropyrrolidin-1-yl)butanehydrazide?
The InChIKey is KXLAGHSKFLUNDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FN3O/c1-2-7(8(13)11-10)12-4-3-6(9)5-12/h6-7H,2-5,10H2,1H3,(H,11,13).
What are the key properties of 2-(3-fluoropyrrolidin-1-yl)butanehydrazide?
2-(3-fluoropyrrolidin-1-yl)butanehydrazide has a molecular weight of 189.23 g/mol, XLogP of -0.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoropyrrolidin-1-yl)butanehydrazide is sourced from PubChem (CID 164657946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).