2,3-difluorocyclopropane-1-carbohydrazide

C4H6F2N2O — CID 142794817

IUPAC2,3-difluorocyclopropane-1-carbohydrazide
SMILESNNC(=O)C1C(F)C1F
InChIInChI=1S/C4H6F2N2O/c5-2-1(3(2)6)4(9)8-7/h1-3H,7H2,(H,8,9)
InChIKeyXBJBZWGBNCHAEU-UHFFFAOYSA-N
MW136.10 g/mol
LogP-0.72
Rot. Bonds1

About 2,3-difluorocyclopropane-1-carbohydrazide

2,3-difluorocyclopropane-1-carbohydrazide (PubChem CID 142794817) has the molecular formula C4H6F2N2O and a molecular weight of 136.10 g/mol. Its IUPAC name is 2,3-difluorocyclopropane-1-carbohydrazide.

Molecular Properties

Compound Name2,3-difluorocyclopropane-1-carbohydrazide
PubChem CID142794817
Molecular FormulaC4H6F2N2O
Molecular Weight136.10 g/mol
Exact Mass136.04
IUPAC Name2,3-difluorocyclopropane-1-carbohydrazide
SMILESNNC(=O)C1C(F)C1F
InChIInChI=1S/C4H6F2N2O/c5-2-1(3(2)6)4(9)8-7/h1-3H,7H2,(H,8,9)
InChIKeyXBJBZWGBNCHAEU-UHFFFAOYSA-N
XLogP-0.72
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.10
LogP ≤ 5-0.72
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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Related Compounds

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CID 81396
US10308636, Example 108
CID 71246123
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CID 13748808
4,4-Difluorobutanehydrazide
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4,4,4-Trifluorobutanehydrazide
CID 65712705
2-Fluorocyclopropane-1-carbohydrazide
CID 67745820
cis-(1S,2S)-2-fluorocyclopropane-1-carbohydrazide
CID 67745821
2,2-Difluorocyclopropane-1-carbohydrazide
CID 86694085
4,4,4-trifluoro-N'-iodobutanehydrazide
CID 88556626
N'-(cyclopropanecarbonyl)-2,2-difluorocyclopropane-1-carbohydrazide
CID 90884837
3,3,4-Trifluoro-2-methylbutanehydrazide
CID 130277602
4,4,4-Trifluoro-2-methylbutanehydrazide
CID 130277603

Frequently Asked Questions

What is the IUPAC name of 2,3-difluorocyclopropane-1-carbohydrazide?
The IUPAC name of 2,3-difluorocyclopropane-1-carbohydrazide (CID 142794817) is 2,3-difluorocyclopropane-1-carbohydrazide.
What is the SMILES notation for 2,3-difluorocyclopropane-1-carbohydrazide?
The canonical SMILES for 2,3-difluorocyclopropane-1-carbohydrazide is NNC(=O)C1C(F)C1F.
What is the InChIKey of 2,3-difluorocyclopropane-1-carbohydrazide?
The InChIKey is XBJBZWGBNCHAEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F2N2O/c5-2-1(3(2)6)4(9)8-7/h1-3H,7H2,(H,8,9).
What are the key properties of 2,3-difluorocyclopropane-1-carbohydrazide?
2,3-difluorocyclopropane-1-carbohydrazide has a molecular weight of 136.10 g/mol, XLogP of -0.72, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluorocyclopropane-1-carbohydrazide is sourced from PubChem (CID 142794817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).