2-[2-(3,3,3-trifluoropropoxymethyl)phenyl]acetohydrazide

C12H15F3N2O2 — CID 82957174

IUPAC2-[2-(3,3,3-trifluoropropoxymethyl)phenyl]acetohydrazide
SMILESNNC(=O)Cc1ccccc1COCCC(F)(F)F
InChIInChI=1S/C12H15F3N2O2/c13-12(14,15)5-6-19-8-10-4-2-1-3-9(10)7-11(18)17-16/h1-4H,5-8,16H2,(H,17,18)
InChIKeyCTWLWMCNIRTHAM-UHFFFAOYSA-N
MW276.26 g/mol
LogP1.69
Rot. Bonds6

About 2-[2-(3,3,3-trifluoropropoxymethyl)phenyl]acetohydrazide

2-[2-(3,3,3-trifluoropropoxymethyl)phenyl]acetohydrazide (PubChem CID 82957174) has the molecular formula C12H15F3N2O2 and a molecular weight of 276.26 g/mol. Its IUPAC name is 2-[2-(3,3,3-trifluoropropoxymethyl)phenyl]acetohydrazide.

Molecular Properties

Compound Name2-[2-(3,3,3-trifluoropropoxymethyl)phenyl]acetohydrazide
PubChem CID82957174
Molecular FormulaC12H15F3N2O2
Molecular Weight276.26 g/mol
Exact Mass276.11
IUPAC Name2-[2-(3,3,3-trifluoropropoxymethyl)phenyl]acetohydrazide
SMILESNNC(=O)Cc1ccccc1COCCC(F)(F)F
InChIInChI=1S/C12H15F3N2O2/c13-12(14,15)5-6-19-8-10-4-2-1-3-9(10)7-11(18)17-16/h1-4H,5-8,16H2,(H,17,18)
InChIKeyCTWLWMCNIRTHAM-UHFFFAOYSA-N
XLogP1.69
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2,2,2-trifluoroethoxymethyl)phenyl]acetohydrazide
CID 115465158
2-[2-(pentoxymethyl)phenyl]acetohydrazide
CID 115465239
2-[2-(2-pyridin-2-ylethoxymethyl)phenyl]acetohydrazide
CID 115465175
4-fluoro-3-(3,3,3-trifluoropropoxymethyl)benzohydrazide
CID 107458270
[2-(3,3,3-trifluoropropoxymethyl)phenyl]boronic acid
CID 82953780
2-[2-[(2,6-dibromophenoxy)methyl]phenyl]acetohydrazide
CID 115465209
3-[(2-chlorophenyl)methoxy]propanehydrazide
CID 63586466
2-[4-(3,3,3-trifluoropropoxymethyl)phenyl]propanehydrazide
CID 105351573
2-[2-[(3-fluorophenoxy)methyl]phenyl]acetohydrazide
CID 115465202
2-[4-(3,3,3-trifluoropropoxymethyl)phenyl]acetic acid
CID 105345021
2-[2-[(4-bromo-2-methylphenoxy)methyl]phenyl]acetohydrazide
CID 115465253
2-[2-[(2-methylsulfanylphenoxy)methyl]phenyl]acetohydrazide
CID 115465259

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,3,3-trifluoropropoxymethyl)phenyl]acetohydrazide?
The IUPAC name of 2-[2-(3,3,3-trifluoropropoxymethyl)phenyl]acetohydrazide (CID 82957174) is 2-[2-(3,3,3-trifluoropropoxymethyl)phenyl]acetohydrazide.
What is the SMILES notation for 2-[2-(3,3,3-trifluoropropoxymethyl)phenyl]acetohydrazide?
The canonical SMILES for 2-[2-(3,3,3-trifluoropropoxymethyl)phenyl]acetohydrazide is NNC(=O)Cc1ccccc1COCCC(F)(F)F.
What is the InChIKey of 2-[2-(3,3,3-trifluoropropoxymethyl)phenyl]acetohydrazide?
The InChIKey is CTWLWMCNIRTHAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O2/c13-12(14,15)5-6-19-8-10-4-2-1-3-9(10)7-11(18)17-16/h1-4H,5-8,16H2,(H,17,18).
What are the key properties of 2-[2-(3,3,3-trifluoropropoxymethyl)phenyl]acetohydrazide?
2-[2-(3,3,3-trifluoropropoxymethyl)phenyl]acetohydrazide has a molecular weight of 276.26 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,3,3-trifluoropropoxymethyl)phenyl]acetohydrazide is sourced from PubChem (CID 82957174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).