N'-acetyl-2,2,2-trifluoro-N'-methylacetohydrazide

C5H7F3N2O2 — CID 12557547

IUPACN'-acetyl-2,2,2-trifluoro-N'-methylacetohydrazide
SMILESCC(=O)N(C)NC(=O)C(F)(F)F
InChIInChI=1S/C5H7F3N2O2/c1-3(11)10(2)9-4(12)5(6,7)8/h1-2H3,(H,9,12)
InChIKeyBLAFHCZWCLCEKQ-UHFFFAOYSA-N
MW184.12 g/mol
LogP0.06
Rot. Bonds

About N'-acetyl-2,2,2-trifluoro-N'-methylacetohydrazide

N'-acetyl-2,2,2-trifluoro-N'-methylacetohydrazide (PubChem CID 12557547) has the molecular formula C5H7F3N2O2 and a molecular weight of 184.12 g/mol. Its IUPAC name is N'-acetyl-2,2,2-trifluoro-N'-methylacetohydrazide.

Molecular Properties

Compound NameN'-acetyl-2,2,2-trifluoro-N'-methylacetohydrazide
PubChem CID12557547
Molecular FormulaC5H7F3N2O2
Molecular Weight184.12 g/mol
Exact Mass184.05
IUPAC NameN'-acetyl-2,2,2-trifluoro-N'-methylacetohydrazide
SMILESCC(=O)N(C)NC(=O)C(F)(F)F
InChIInChI=1S/C5H7F3N2O2/c1-3(11)10(2)9-4(12)5(6,7)8/h1-2H3,(H,9,12)
InChIKeyBLAFHCZWCLCEKQ-UHFFFAOYSA-N
XLogP0.06
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.12
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Difluoroacetyl-1,2-dimethylhydrazine
CID 12596295
N,N-Dimethyltrifluoroacetohydrazonic acid
CID 3091354
2,2-difluoro-N',N'-dimethylacetohydrazide
CID 12596293
2,2,2-trifluoro-N'-methyl-N'-(2,2,2-trifluoroacetyl)acetohydrazide
CID 12955812
N-Methyltrifluoroacetic acid hydrazide
CID 101065480
1-Fluoroacetyl-1,2-dimethylhydrazine
CID 129879033
N'-acetyl-2,2,2-trifluoro-N-methylacetohydrazide
CID 12557548
2,2-difluoro-N-methylacetohydrazide
CID 23268501
2,2,2-trifluoro-N,N'-dimethylacetohydrazide
CID 12596296
1-[(2,2-Difluoroacetyl)amino]-1-methylurea
CID 23508224
N',N'-diethyl-2,2,2-trifluoroacetohydrazide
CID 88204472
N'-acetyl-N'-(trifluoromethyl)acetohydrazide
CID 140037888

Frequently Asked Questions

What is the IUPAC name of N'-acetyl-2,2,2-trifluoro-N'-methylacetohydrazide?
The IUPAC name of N'-acetyl-2,2,2-trifluoro-N'-methylacetohydrazide (CID 12557547) is N'-acetyl-2,2,2-trifluoro-N'-methylacetohydrazide.
What is the SMILES notation for N'-acetyl-2,2,2-trifluoro-N'-methylacetohydrazide?
The canonical SMILES for N'-acetyl-2,2,2-trifluoro-N'-methylacetohydrazide is CC(=O)N(C)NC(=O)C(F)(F)F.
What is the InChIKey of N'-acetyl-2,2,2-trifluoro-N'-methylacetohydrazide?
The InChIKey is BLAFHCZWCLCEKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F3N2O2/c1-3(11)10(2)9-4(12)5(6,7)8/h1-2H3,(H,9,12).
What are the key properties of N'-acetyl-2,2,2-trifluoro-N'-methylacetohydrazide?
N'-acetyl-2,2,2-trifluoro-N'-methylacetohydrazide has a molecular weight of 184.12 g/mol, XLogP of 0.06, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-acetyl-2,2,2-trifluoro-N'-methylacetohydrazide is sourced from PubChem (CID 12557547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).