[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methylidenehydrazine

C10H11F3N2O2 — CID 168530887

IUPAC[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methylidenehydrazine
SMILESCOc1cc(C=NN)ccc1OCC(F)(F)F
InChIInChI=1S/C10H11F3N2O2/c1-16-9-4-7(5-15-14)2-3-8(9)17-6-10(11,12)13/h2-5H,6,14H2,1H3
InChIKeyGWCWPZOVXZBCRE-UHFFFAOYSA-N
MW248.20 g/mol
LogP1.93
Rot. Bonds4

About [3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methylidenehydrazine

[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methylidenehydrazine (PubChem CID 168530887) has the molecular formula C10H11F3N2O2 and a molecular weight of 248.20 g/mol. Its IUPAC name is [3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methylidenehydrazine.

Molecular Properties

Compound Name[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methylidenehydrazine
PubChem CID168530887
Molecular FormulaC10H11F3N2O2
Molecular Weight248.20 g/mol
Exact Mass248.08
IUPAC Name[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methylidenehydrazine
SMILESCOc1cc(C=NN)ccc1OCC(F)(F)F
InChIInChI=1S/C10H11F3N2O2/c1-16-9-4-7(5-15-14)2-3-8(9)17-6-10(11,12)13/h2-5H,6,14H2,1H3
InChIKeyGWCWPZOVXZBCRE-UHFFFAOYSA-N
XLogP1.93
TPSA56.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.20
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168630629
[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methanamine
CID 16776854
(3-methoxy-4-propan-2-yloxyphenyl)methylidenehydrazine
CID 168529581
(3-butoxy-4-methoxyphenyl)methylidenehydrazine
CID 168529239
[4-[(2-bromophenyl)methoxy]-3-methoxyphenyl]methylidenehydrazine
CID 168530513
[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylidenehydrazine
CID 23944748
N'-hydroxy-3-methoxy-4-(2,2,2-trifluoroethoxy)benzenecarboximidamide
CID 24695782
[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidenehydrazine
CID 78678912
4-(bromomethyl)-2-methoxy-1-(2,2,2-trifluoroethoxy)benzene
CID 43141747
[3-(2,2-difluoroethoxy)-4-(trifluoromethyl)phenyl]methylidenehydrazine
CID 168531118
[3-methoxy-4-[(4-methyl-2-nitrophenyl)methoxy]phenyl]methylidenehydrazine
CID 168531006
(7-methoxy-8-prop-2-enoxynaphthalen-2-yl)methylidenehydrazine;2,2,2-trifluoroacetic acid
CID 70060768

Frequently Asked Questions

What is the IUPAC name of [3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methylidenehydrazine?
The IUPAC name of [3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methylidenehydrazine (CID 168530887) is [3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methylidenehydrazine.
What is the SMILES notation for [3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methylidenehydrazine?
The canonical SMILES for [3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methylidenehydrazine is COc1cc(C=NN)ccc1OCC(F)(F)F.
What is the InChIKey of [3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methylidenehydrazine?
The InChIKey is GWCWPZOVXZBCRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O2/c1-16-9-4-7(5-15-14)2-3-8(9)17-6-10(11,12)13/h2-5H,6,14H2,1H3.
What are the key properties of [3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methylidenehydrazine?
[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methylidenehydrazine has a molecular weight of 248.20 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methylidenehydrazine is sourced from PubChem (CID 168530887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).