(2S)-1-ethoxy-2-[2-oxido-2-[4-(trifluoromethyl)phenoxy]hydrazinyl]propan-1-ol

C12H16F3N2O4- — CID 162564830

IUPAC(2S)-1-ethoxy-2-[2-oxido-2-[4-(trifluoromethyl)phenoxy]hydrazinyl]propan-1-ol
SMILESCCOC(O)[C@H](C)NN([O-])Oc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H16F3N2O4/c1-3-20-11(18)8(2)16-17(19)21-10-6-4-9(5-7-10)12(13,14)15/h4-8,11,16,18H,3H2,1-2H3/q-1/t8-,11?/m0/s1
InChIKeyIASGEHHNOBQTNB-YMNIQAILSA-N
MW309.26 g/mol
LogP2.05
Rot. Bonds7

About (2S)-1-ethoxy-2-[2-oxido-2-[4-(trifluoromethyl)phenoxy]hydrazinyl]propan-1-ol

(2S)-1-ethoxy-2-[2-oxido-2-[4-(trifluoromethyl)phenoxy]hydrazinyl]propan-1-ol (PubChem CID 162564830) has the molecular formula C12H16F3N2O4- and a molecular weight of 309.26 g/mol. Its IUPAC name is (2S)-1-ethoxy-2-[2-oxido-2-[4-(trifluoromethyl)phenoxy]hydrazinyl]propan-1-ol.

Molecular Properties

Compound Name(2S)-1-ethoxy-2-[2-oxido-2-[4-(trifluoromethyl)phenoxy]hydrazinyl]propan-1-ol
PubChem CID162564830
Molecular FormulaC12H16F3N2O4-
Molecular Weight309.26 g/mol
Exact Mass309.11
IUPAC Name(2S)-1-ethoxy-2-[2-oxido-2-[4-(trifluoromethyl)phenoxy]hydrazinyl]propan-1-ol
SMILESCCOC(O)[C@H](C)NN([O-])Oc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H16F3N2O4/c1-3-20-11(18)8(2)16-17(19)21-10-6-4-9(5-7-10)12(13,14)15/h4-8,11,16,18H,3H2,1-2H3/q-1/t8-,11?/m0/s1
InChIKeyIASGEHHNOBQTNB-YMNIQAILSA-N
XLogP2.05
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.26
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]amino]propanoate
CID 61499161
diethoxymethoxy-[4-(trifluoromethyl)phenyl]silane
CID 154180354
(1R)-1-[[4-(trifluoromethyl)phenyl]methoxy]ethanol
CID 162576270
N-(2-methylpropyl)-2-[4-(trifluoromethyl)phenoxy]butan-1-amine
CID 62441123
N-(2,2-diethoxyethyl)-4-(trifluoromethyl)benzamide
CID 78909661
methyl 2-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]propanoate
CID 60700981
1-[4-(trifluoromethyl)phenoxy]pentan-2-ol
CID 117241736
diethoxymethoxy-[4-[4-(trifluoromethyl)phenyl]phenyl]silane
CID 154162114
3-ethoxy-1-[4-(trifluoromethyl)phenyl]butan-2-amine
CID 64541975
2,2-diethoxy-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 71521606
(3R)-N-methyl-3-[4-(trifluoromethyl)phenoxy]hexan-1-amine
CID 69455400
1-(methoxymethoxy)-4-(trifluoromethyl)benzene
CID 11009076

Frequently Asked Questions

What is the IUPAC name of (2S)-1-ethoxy-2-[2-oxido-2-[4-(trifluoromethyl)phenoxy]hydrazinyl]propan-1-ol?
The IUPAC name of (2S)-1-ethoxy-2-[2-oxido-2-[4-(trifluoromethyl)phenoxy]hydrazinyl]propan-1-ol (CID 162564830) is (2S)-1-ethoxy-2-[2-oxido-2-[4-(trifluoromethyl)phenoxy]hydrazinyl]propan-1-ol.
What is the SMILES notation for (2S)-1-ethoxy-2-[2-oxido-2-[4-(trifluoromethyl)phenoxy]hydrazinyl]propan-1-ol?
The canonical SMILES for (2S)-1-ethoxy-2-[2-oxido-2-[4-(trifluoromethyl)phenoxy]hydrazinyl]propan-1-ol is CCOC(O)[C@H](C)NN([O-])Oc1ccc(C(F)(F)F)cc1.
What is the InChIKey of (2S)-1-ethoxy-2-[2-oxido-2-[4-(trifluoromethyl)phenoxy]hydrazinyl]propan-1-ol?
The InChIKey is IASGEHHNOBQTNB-YMNIQAILSA-N. The full InChI is InChI=1S/C12H16F3N2O4/c1-3-20-11(18)8(2)16-17(19)21-10-6-4-9(5-7-10)12(13,14)15/h4-8,11,16,18H,3H2,1-2H3/q-1/t8-,11?/m0/s1.
What are the key properties of (2S)-1-ethoxy-2-[2-oxido-2-[4-(trifluoromethyl)phenoxy]hydrazinyl]propan-1-ol?
(2S)-1-ethoxy-2-[2-oxido-2-[4-(trifluoromethyl)phenoxy]hydrazinyl]propan-1-ol has a molecular weight of 309.26 g/mol, XLogP of 2.05, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-ethoxy-2-[2-oxido-2-[4-(trifluoromethyl)phenoxy]hydrazinyl]propan-1-ol is sourced from PubChem (CID 162564830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).