cis-(1S,2S)-2-fluorocyclopropane-1-carbohydrazide

C4H7FN2O — CID 67745821

IUPACcis-(1S,2S)-2-fluorocyclopropane-1-carbohydrazide
SMILESNNC(=O)[C@@H]1C[C@@H]1F
InChIInChI=1S/C4H7FN2O/c5-3-1-2(3)4(8)7-6/h2-3H,1,6H2,(H,7,8)/t2-,3+/m1/s1
InChIKeyWFLYJKSCMSXHNF-GBXIJSLDSA-N
MW118.11 g/mol
LogP-0.67
Rot. Bonds1

About cis-(1S,2S)-2-fluorocyclopropane-1-carbohydrazide

cis-(1S,2S)-2-fluorocyclopropane-1-carbohydrazide (PubChem CID 67745821) has the molecular formula C4H7FN2O and a molecular weight of 118.11 g/mol. Its IUPAC name is cis-(1S,2S)-2-fluorocyclopropane-1-carbohydrazide.

Molecular Properties

Compound Namecis-(1S,2S)-2-fluorocyclopropane-1-carbohydrazide
PubChem CID67745821
Molecular FormulaC4H7FN2O
Molecular Weight118.11 g/mol
Exact Mass118.05
IUPAC Namecis-(1S,2S)-2-fluorocyclopropane-1-carbohydrazide
SMILESNNC(=O)[C@@H]1C[C@@H]1F
InChIInChI=1S/C4H7FN2O/c5-3-1-2(3)4(8)7-6/h2-3H,1,6H2,(H,7,8)/t2-,3+/m1/s1
InChIKeyWFLYJKSCMSXHNF-GBXIJSLDSA-N
XLogP-0.67
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.11
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-2-fluorocyclopropane-1-carbohydrazide?
The IUPAC name of cis-(1S,2S)-2-fluorocyclopropane-1-carbohydrazide (CID 67745821) is cis-(1S,2S)-2-fluorocyclopropane-1-carbohydrazide.
What is the SMILES notation for cis-(1S,2S)-2-fluorocyclopropane-1-carbohydrazide?
The canonical SMILES for cis-(1S,2S)-2-fluorocyclopropane-1-carbohydrazide is NNC(=O)[C@@H]1C[C@@H]1F.
What is the InChIKey of cis-(1S,2S)-2-fluorocyclopropane-1-carbohydrazide?
The InChIKey is WFLYJKSCMSXHNF-GBXIJSLDSA-N. The full InChI is InChI=1S/C4H7FN2O/c5-3-1-2(3)4(8)7-6/h2-3H,1,6H2,(H,7,8)/t2-,3+/m1/s1.
What are the key properties of cis-(1S,2S)-2-fluorocyclopropane-1-carbohydrazide?
cis-(1S,2S)-2-fluorocyclopropane-1-carbohydrazide has a molecular weight of 118.11 g/mol, XLogP of -0.67, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-2-fluorocyclopropane-1-carbohydrazide is sourced from PubChem (CID 67745821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).