cis-(1R,2S)-N'-acetyl-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carbohydrazide

C13H13F3N2O2 — CID 95907598

IUPACcis-(1R,2S)-N'-acetyl-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carbohydrazide
SMILESCC(=O)NNC(=O)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F
InChIInChI=1S/C13H13F3N2O2/c1-7(19)17-18-12(20)10-6-9(10)8-4-2-3-5-11(8)13(14,15)16/h2-5,9-10H,6H2,1H3,(H,17,19)(H,18,20)/t9-,10-/m1/s1
InChIKeyJDFRFXYRQYHEJV-NXEZZACHSA-N
MW286.25 g/mol
LogP1.98
Rot. Bonds2

About cis-(1R,2S)-N'-acetyl-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carbohydrazide

cis-(1R,2S)-N'-acetyl-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carbohydrazide (PubChem CID 95907598) has the molecular formula C13H13F3N2O2 and a molecular weight of 286.25 g/mol. Its IUPAC name is cis-(1R,2S)-N'-acetyl-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carbohydrazide.

Molecular Properties

Compound Namecis-(1R,2S)-N'-acetyl-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carbohydrazide
PubChem CID95907598
Molecular FormulaC13H13F3N2O2
Molecular Weight286.25 g/mol
Exact Mass286.09
IUPAC Namecis-(1R,2S)-N'-acetyl-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carbohydrazide
SMILESCC(=O)NNC(=O)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F
InChIInChI=1S/C13H13F3N2O2/c1-7(19)17-18-12(20)10-6-9(10)8-4-2-3-5-11(8)13(14,15)16/h2-5,9-10H,6H2,1H3,(H,17,19)(H,18,20)/t9-,10-/m1/s1
InChIKeyJDFRFXYRQYHEJV-NXEZZACHSA-N
XLogP1.98
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.25
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-N'-acetyl-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carbohydrazide?
The IUPAC name of cis-(1R,2S)-N'-acetyl-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carbohydrazide (CID 95907598) is cis-(1R,2S)-N'-acetyl-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carbohydrazide.
What is the SMILES notation for cis-(1R,2S)-N'-acetyl-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carbohydrazide?
The canonical SMILES for cis-(1R,2S)-N'-acetyl-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carbohydrazide is CC(=O)NNC(=O)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F.
What is the InChIKey of cis-(1R,2S)-N'-acetyl-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carbohydrazide?
The InChIKey is JDFRFXYRQYHEJV-NXEZZACHSA-N. The full InChI is InChI=1S/C13H13F3N2O2/c1-7(19)17-18-12(20)10-6-9(10)8-4-2-3-5-11(8)13(14,15)16/h2-5,9-10H,6H2,1H3,(H,17,19)(H,18,20)/t9-,10-/m1/s1.
What are the key properties of cis-(1R,2S)-N'-acetyl-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carbohydrazide?
cis-(1R,2S)-N'-acetyl-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carbohydrazide has a molecular weight of 286.25 g/mol, XLogP of 1.98, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-N'-acetyl-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carbohydrazide is sourced from PubChem (CID 95907598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).