1-(trifluoromethyl)cyclopropane-1-carbohydrazide

C5H7F3N2O — CID 71246123

IUPAC1-(trifluoromethyl)cyclopropane-1-carbohydrazide
SMILESNNC(=O)C1(C(F)(F)F)CC1
InChIInChI=1S/C5H7F3N2O/c6-5(7,8)4(1-2-4)3(11)10-9/h1-2,9H2,(H,10,11)
InChIKeyPHCQOBCIFJKEOI-UHFFFAOYSA-N
MW168.12 g/mol
LogP0.32
Rot. Bonds1

About 1-(trifluoromethyl)cyclopropane-1-carbohydrazide

1-(trifluoromethyl)cyclopropane-1-carbohydrazide (PubChem CID 71246123) has the molecular formula C5H7F3N2O and a molecular weight of 168.12 g/mol. Its IUPAC name is 1-(trifluoromethyl)cyclopropane-1-carbohydrazide.

Molecular Properties

Compound Name1-(trifluoromethyl)cyclopropane-1-carbohydrazide
PubChem CID71246123
Molecular FormulaC5H7F3N2O
Molecular Weight168.12 g/mol
Exact Mass168.05
IUPAC Name1-(trifluoromethyl)cyclopropane-1-carbohydrazide
SMILESNNC(=O)C1(C(F)(F)F)CC1
InChIInChI=1S/C5H7F3N2O/c6-5(7,8)4(1-2-4)3(11)10-9/h1-2,9H2,(H,10,11)
InChIKeyPHCQOBCIFJKEOI-UHFFFAOYSA-N
XLogP0.32
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.12
LogP ≤ 50.32
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 1-(trifluoromethyl)cyclopropane-1-carbohydrazide?
The IUPAC name of 1-(trifluoromethyl)cyclopropane-1-carbohydrazide (CID 71246123) is 1-(trifluoromethyl)cyclopropane-1-carbohydrazide.
What is the SMILES notation for 1-(trifluoromethyl)cyclopropane-1-carbohydrazide?
The canonical SMILES for 1-(trifluoromethyl)cyclopropane-1-carbohydrazide is NNC(=O)C1(C(F)(F)F)CC1.
What is the InChIKey of 1-(trifluoromethyl)cyclopropane-1-carbohydrazide?
The InChIKey is PHCQOBCIFJKEOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F3N2O/c6-5(7,8)4(1-2-4)3(11)10-9/h1-2,9H2,(H,10,11).
What are the key properties of 1-(trifluoromethyl)cyclopropane-1-carbohydrazide?
1-(trifluoromethyl)cyclopropane-1-carbohydrazide has a molecular weight of 168.12 g/mol, XLogP of 0.32, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethyl)cyclopropane-1-carbohydrazide is sourced from PubChem (CID 71246123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).