[3-(2,2-difluoroethoxy)-4-(trifluoromethyl)phenyl]methylidenehydrazine

C10H9F5N2O — CID 168531118

IUPAC[3-(2,2-difluoroethoxy)-4-(trifluoromethyl)phenyl]methylidenehydrazine
SMILESNN=Cc1ccc(C(F)(F)F)c(OCC(F)F)c1
InChIInChI=1S/C10H9F5N2O/c11-9(12)5-18-8-3-6(4-17-16)1-2-7(8)10(13,14)15/h1-4,9H,5,16H2
InChIKeyZOPJVNOQTWWLIV-UHFFFAOYSA-N
MW268.19 g/mol
LogP2.64
Rot. Bonds4

About [3-(2,2-difluoroethoxy)-4-(trifluoromethyl)phenyl]methylidenehydrazine

[3-(2,2-difluoroethoxy)-4-(trifluoromethyl)phenyl]methylidenehydrazine (PubChem CID 168531118) has the molecular formula C10H9F5N2O and a molecular weight of 268.19 g/mol. Its IUPAC name is [3-(2,2-difluoroethoxy)-4-(trifluoromethyl)phenyl]methylidenehydrazine.

Molecular Properties

Compound Name[3-(2,2-difluoroethoxy)-4-(trifluoromethyl)phenyl]methylidenehydrazine
PubChem CID168531118
Molecular FormulaC10H9F5N2O
Molecular Weight268.19 g/mol
Exact Mass268.06
IUPAC Name[3-(2,2-difluoroethoxy)-4-(trifluoromethyl)phenyl]methylidenehydrazine
SMILESNN=Cc1ccc(C(F)(F)F)c(OCC(F)F)c1
InChIInChI=1S/C10H9F5N2O/c11-9(12)5-18-8-3-6(4-17-16)1-2-7(8)10(13,14)15/h1-4,9H,5,16H2
InChIKeyZOPJVNOQTWWLIV-UHFFFAOYSA-N
XLogP2.64
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.19
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'}

Analyze [3-(2,2-difluoroethoxy)-4-(trifluoromethyl)phenyl]methylidenehydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methylidenehydrazine
CID 168530887
3-[4-(2,2-difluoroethoxy)-3-(trifluoromethyl)phenyl]prop-2-enoic acid
CID 76990592
(NZ)-N-[[4-(2,2-difluoroethoxy)-3-methoxyphenyl]methylidene]hydroxylamine
CID 95732521
2-(2,2-diethoxyethoxy)-4-[(E)-prop-1-enyl]-1-(trifluoromethyl)benzene
CID 166929604
1-[4-(2,2-difluoroethoxy)-3-(trifluoromethyl)phenyl]propan-2-amine
CID 55205483
[5-(2,2-difluoroethoxy)-2-(trifluoromethyl)phenyl]methanamine
CID 82004812
3-(2-hydroxyethoxy)-4-(trifluoromethyl)benzaldehyde
CID 164915077
(4-fluoro-3-propoxyphenyl)methylidenehydrazine
CID 168529277
1-[4-(2,2-difluoroethoxy)-3-(trifluoromethyl)phenyl]butan-2-amine
CID 63320732
(3-ethoxy-4-propan-2-yloxyphenyl)methylidenehydrazine
CID 168529586
[4-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]methylidenehydrazine
CID 168529818
1-(2,2-difluoroethoxy)-2-methylsulfanyl-3-(trifluoromethyl)benzene
CID 156769036

Frequently Asked Questions

What is the IUPAC name of [3-(2,2-difluoroethoxy)-4-(trifluoromethyl)phenyl]methylidenehydrazine?
The IUPAC name of [3-(2,2-difluoroethoxy)-4-(trifluoromethyl)phenyl]methylidenehydrazine (CID 168531118) is [3-(2,2-difluoroethoxy)-4-(trifluoromethyl)phenyl]methylidenehydrazine.
What is the SMILES notation for [3-(2,2-difluoroethoxy)-4-(trifluoromethyl)phenyl]methylidenehydrazine?
The canonical SMILES for [3-(2,2-difluoroethoxy)-4-(trifluoromethyl)phenyl]methylidenehydrazine is NN=Cc1ccc(C(F)(F)F)c(OCC(F)F)c1.
What is the InChIKey of [3-(2,2-difluoroethoxy)-4-(trifluoromethyl)phenyl]methylidenehydrazine?
The InChIKey is ZOPJVNOQTWWLIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F5N2O/c11-9(12)5-18-8-3-6(4-17-16)1-2-7(8)10(13,14)15/h1-4,9H,5,16H2.
What are the key properties of [3-(2,2-difluoroethoxy)-4-(trifluoromethyl)phenyl]methylidenehydrazine?
[3-(2,2-difluoroethoxy)-4-(trifluoromethyl)phenyl]methylidenehydrazine has a molecular weight of 268.19 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,2-difluoroethoxy)-4-(trifluoromethyl)phenyl]methylidenehydrazine is sourced from PubChem (CID 168531118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).