2,2,2-trifluoro-N'-[(2R)-1-(4-hydroxyphenyl)propan-2-yl]acetohydrazide

C11H13F3N2O2 — CID 57010622

IUPAC2,2,2-trifluoro-N'-[(2R)-1-(4-hydroxyphenyl)propan-2-yl]acetohydrazide
SMILESC[C@H](Cc1ccc(O)cc1)NNC(=O)C(F)(F)F
InChIInChI=1S/C11H13F3N2O2/c1-7(15-16-10(18)11(12,13)14)6-8-2-4-9(17)5-3-8/h2-5,7,15,17H,6H2,1H3,(H,16,18)/t7-/m1/s1
InChIKeyXJFBSUSEYJIYAV-SSDOTTSWSA-N
MW262.23 g/mol
LogP1.51
Rot. Bonds4

About 2,2,2-trifluoro-N'-[(2R)-1-(4-hydroxyphenyl)propan-2-yl]acetohydrazide

2,2,2-trifluoro-N'-[(2R)-1-(4-hydroxyphenyl)propan-2-yl]acetohydrazide (PubChem CID 57010622) has the molecular formula C11H13F3N2O2 and a molecular weight of 262.23 g/mol. Its IUPAC name is 2,2,2-trifluoro-N'-[(2R)-1-(4-hydroxyphenyl)propan-2-yl]acetohydrazide.

Molecular Properties

Compound Name2,2,2-trifluoro-N'-[(2R)-1-(4-hydroxyphenyl)propan-2-yl]acetohydrazide
PubChem CID57010622
Molecular FormulaC11H13F3N2O2
Molecular Weight262.23 g/mol
Exact Mass262.09
IUPAC Name2,2,2-trifluoro-N'-[(2R)-1-(4-hydroxyphenyl)propan-2-yl]acetohydrazide
SMILESC[C@H](Cc1ccc(O)cc1)NNC(=O)C(F)(F)F
InChIInChI=1S/C11H13F3N2O2/c1-7(15-16-10(18)11(12,13)14)6-8-2-4-9(17)5-3-8/h2-5,7,15,17H,6H2,1H3,(H,16,18)/t7-/m1/s1
InChIKeyXJFBSUSEYJIYAV-SSDOTTSWSA-N
XLogP1.51
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(2S)-1-(4-hydroxyphenyl)propan-2-yl]carbamic acid
CID 124508416
ethane;N-[1-(4-hydroxyphenyl)propan-2-yl]propanamide
CID 143996671
2,2,2-trifluoro-N-[1-(4-hydroxyphenyl)propan-2-yl]-N-methylacetamide
CID 10587477
3-(4-hydroxyphenyl)-2-(4-methylpentan-2-ylamino)propanoic acid
CID 114284796
4-[(2S)-2-hydrazinylpropyl]phenol
CID 97429943
4-[2-(4-hydroxyanilino)propyl]phenol
CID 113322859
bis(4-[(2S)-2-(methylamino)propyl]phenol);sulfuric acid
CID 76968318
4-[2-(1-methoxypropan-2-ylamino)propyl]phenol
CID 81344807
3,3,3-trifluoro-2-[(4-hydroxyphenyl)methyl]propanoic acid
CID 115039955
(2R)-2-[1-[4-(trifluoromethyl)phenyl]propan-2-ylamino]propanoic acid
CID 122038148
2-hydroxy-3-[1-(4-hydroxyphenyl)propan-2-ylamino]propanamide
CID 106170771
1-(2-hydroxyethyl)-3-[1-(4-hydroxyphenyl)propan-2-yl]urea
CID 110903976

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N'-[(2R)-1-(4-hydroxyphenyl)propan-2-yl]acetohydrazide?
The IUPAC name of 2,2,2-trifluoro-N'-[(2R)-1-(4-hydroxyphenyl)propan-2-yl]acetohydrazide (CID 57010622) is 2,2,2-trifluoro-N'-[(2R)-1-(4-hydroxyphenyl)propan-2-yl]acetohydrazide.
What is the SMILES notation for 2,2,2-trifluoro-N'-[(2R)-1-(4-hydroxyphenyl)propan-2-yl]acetohydrazide?
The canonical SMILES for 2,2,2-trifluoro-N'-[(2R)-1-(4-hydroxyphenyl)propan-2-yl]acetohydrazide is C[C@H](Cc1ccc(O)cc1)NNC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N'-[(2R)-1-(4-hydroxyphenyl)propan-2-yl]acetohydrazide?
The InChIKey is XJFBSUSEYJIYAV-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H13F3N2O2/c1-7(15-16-10(18)11(12,13)14)6-8-2-4-9(17)5-3-8/h2-5,7,15,17H,6H2,1H3,(H,16,18)/t7-/m1/s1.
What are the key properties of 2,2,2-trifluoro-N'-[(2R)-1-(4-hydroxyphenyl)propan-2-yl]acetohydrazide?
2,2,2-trifluoro-N'-[(2R)-1-(4-hydroxyphenyl)propan-2-yl]acetohydrazide has a molecular weight of 262.23 g/mol, XLogP of 1.51, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N'-[(2R)-1-(4-hydroxyphenyl)propan-2-yl]acetohydrazide is sourced from PubChem (CID 57010622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).