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

C7H14FN3O — CID 164657943

IUPAC2-(3-fluoropyrrolidin-1-yl)propanehydrazide
SMILESCC(C(=O)NN)N1CCC(F)C1
InChIInChI=1S/C7H14FN3O/c1-5(7(12)10-9)11-3-2-6(8)4-11/h5-6H,2-4,9H2,1H3,(H,10,12)
InChIKeyNVHCISOQJBEEFP-UHFFFAOYSA-N
MW175.21 g/mol
LogP-0.59
Rot. Bonds2

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

2-(3-fluoropyrrolidin-1-yl)propanehydrazide (PubChem CID 164657943) has the molecular formula C7H14FN3O and a molecular weight of 175.21 g/mol. Its IUPAC name is 2-(3-fluoropyrrolidin-1-yl)propanehydrazide.

Molecular Properties

Compound Name2-(3-fluoropyrrolidin-1-yl)propanehydrazide
PubChem CID164657943
Molecular FormulaC7H14FN3O
Molecular Weight175.21 g/mol
Exact Mass175.11
IUPAC Name2-(3-fluoropyrrolidin-1-yl)propanehydrazide
SMILESCC(C(=O)NN)N1CCC(F)C1
InChIInChI=1S/C7H14FN3O/c1-5(7(12)10-9)11-3-2-6(8)4-11/h5-6H,2-4,9H2,1H3,(H,10,12)
InChIKeyNVHCISOQJBEEFP-UHFFFAOYSA-N
XLogP-0.59
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.21
LogP ≤ 5-0.59
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
2-(Pyrrolidin-1-yl)acetohydrazide
CID 3270682
(2R)-2-[(3R)-3-fluoropyrrolidin-1-yl]propanamide
CID 89422781
(2R)-2-[(3S)-3-fluoropyrrolidin-1-yl]propanamide
CID 89422782
(2S,4S)-4-fluoro-1-methylpyrrolidine-2-carbohydrazide
CID 90180617
2-[Methyl(2,2,2-trifluoroethyl)amino]propanehydrazide
CID 63573903
2-[Methyl(2,2,2-trifluoroethyl)amino]butanehydrazide
CID 63574092
2-[Propan-2-yl(2,2,2-trifluoroethyl)amino]butanehydrazide
CID 63584109
2-[Propyl(2,2,2-trifluoroethyl)amino]propanehydrazide
CID 63584477
2-[Propyl(2,2,2-trifluoroethyl)amino]butanehydrazide
CID 63584480
2-[Ethyl(2,2,2-trifluoroethyl)amino]propanehydrazide
CID 63585589
2-[Ethyl(2,2,2-trifluoroethyl)amino]butanehydrazide
CID 63585592

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoropyrrolidin-1-yl)propanehydrazide?
The IUPAC name of 2-(3-fluoropyrrolidin-1-yl)propanehydrazide (CID 164657943) is 2-(3-fluoropyrrolidin-1-yl)propanehydrazide.
What is the SMILES notation for 2-(3-fluoropyrrolidin-1-yl)propanehydrazide?
The canonical SMILES for 2-(3-fluoropyrrolidin-1-yl)propanehydrazide is CC(C(=O)NN)N1CCC(F)C1.
What is the InChIKey of 2-(3-fluoropyrrolidin-1-yl)propanehydrazide?
The InChIKey is NVHCISOQJBEEFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FN3O/c1-5(7(12)10-9)11-3-2-6(8)4-11/h5-6H,2-4,9H2,1H3,(H,10,12).
What are the key properties of 2-(3-fluoropyrrolidin-1-yl)propanehydrazide?
2-(3-fluoropyrrolidin-1-yl)propanehydrazide has a molecular weight of 175.21 g/mol, XLogP of -0.59, 2 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)propanehydrazide is sourced from PubChem (CID 164657943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).