2-[4-(2,2,2-trifluoroethoxymethyl)phenyl]propanehydrazide

C12H15F3N2O2 — CID 105351363

IUPAC2-[4-(2,2,2-trifluoroethoxymethyl)phenyl]propanehydrazide
SMILESCC(C(=O)NN)c1ccc(COCC(F)(F)F)cc1
InChIInChI=1S/C12H15F3N2O2/c1-8(11(18)17-16)10-4-2-9(3-5-10)6-19-7-12(13,14)15/h2-5,8H,6-7,16H2,1H3,(H,17,18)
InChIKeyOUOSIWPKZUVRBJ-UHFFFAOYSA-N
MW276.26 g/mol
LogP1.86
Rot. Bonds5

About 2-[4-(2,2,2-trifluoroethoxymethyl)phenyl]propanehydrazide

2-[4-(2,2,2-trifluoroethoxymethyl)phenyl]propanehydrazide (PubChem CID 105351363) has the molecular formula C12H15F3N2O2 and a molecular weight of 276.26 g/mol. Its IUPAC name is 2-[4-(2,2,2-trifluoroethoxymethyl)phenyl]propanehydrazide.

Molecular Properties

Compound Name2-[4-(2,2,2-trifluoroethoxymethyl)phenyl]propanehydrazide
PubChem CID105351363
Molecular FormulaC12H15F3N2O2
Molecular Weight276.26 g/mol
Exact Mass276.11
IUPAC Name2-[4-(2,2,2-trifluoroethoxymethyl)phenyl]propanehydrazide
SMILESCC(C(=O)NN)c1ccc(COCC(F)(F)F)cc1
InChIInChI=1S/C12H15F3N2O2/c1-8(11(18)17-16)10-4-2-9(3-5-10)6-19-7-12(13,14)15/h2-5,8H,6-7,16H2,1H3,(H,17,18)
InChIKeyOUOSIWPKZUVRBJ-UHFFFAOYSA-N
XLogP1.86
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

4-[(2,2,3,3-Tetrafluoropropoxy)methyl]benzohydrazide
CID 844060
4-[(2,2,2-Trifluoroethoxy)methyl]benzohydrazide
CID 3611837
3,3,3-Trifluoro-2-methoxy-2-phenylpropanehydrazide
CID 14087284
(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanehydrazide
CID 14087285
(2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanehydrazide
CID 14087286
ethyl 4-[(1S)-1-[2-(2,2,2-trifluoroacetyl)hydrazinyl]ethyl]benzoate
CID 57882744
ethyl 4-[(1R)-1-[2-(2,2,2-trifluoroacetyl)hydrazinyl]ethyl]benzoate
CID 57882766
2-[3-Fluoro-4-(2-methoxyethoxymethyl)phenyl]propanamide
CID 140597226
2-[3-Fluoro-4-(2-hydroxyethoxymethyl)phenyl]propanamide
CID 145574810
Methyl 4-[[(2,2-difluoroacetyl)amino]carbamoyl]benzoate
CID 153617651
2-[3-fluoro-4-(2-fluoroethoxymethyl)phenyl]-N-oxopropanamide
CID 163941819
(2R)-8-methyl-2-phenylmethoxy-2-(trifluoromethyl)nonanehydrazide
CID 169126096

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,2,2-trifluoroethoxymethyl)phenyl]propanehydrazide?
The IUPAC name of 2-[4-(2,2,2-trifluoroethoxymethyl)phenyl]propanehydrazide (CID 105351363) is 2-[4-(2,2,2-trifluoroethoxymethyl)phenyl]propanehydrazide.
What is the SMILES notation for 2-[4-(2,2,2-trifluoroethoxymethyl)phenyl]propanehydrazide?
The canonical SMILES for 2-[4-(2,2,2-trifluoroethoxymethyl)phenyl]propanehydrazide is CC(C(=O)NN)c1ccc(COCC(F)(F)F)cc1.
What is the InChIKey of 2-[4-(2,2,2-trifluoroethoxymethyl)phenyl]propanehydrazide?
The InChIKey is OUOSIWPKZUVRBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O2/c1-8(11(18)17-16)10-4-2-9(3-5-10)6-19-7-12(13,14)15/h2-5,8H,6-7,16H2,1H3,(H,17,18).
What are the key properties of 2-[4-(2,2,2-trifluoroethoxymethyl)phenyl]propanehydrazide?
2-[4-(2,2,2-trifluoroethoxymethyl)phenyl]propanehydrazide has a molecular weight of 276.26 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,2,2-trifluoroethoxymethyl)phenyl]propanehydrazide is sourced from PubChem (CID 105351363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).