(3,4-difluoro-5-pentoxyphenyl)methylidenehydrazine

C12H16F2N2O — CID 168529285

IUPAC(3,4-difluoro-5-pentoxyphenyl)methylidenehydrazine
SMILESCCCCCOc1cc(C=NN)cc(F)c1F
InChIInChI=1S/C12H16F2N2O/c1-2-3-4-5-17-11-7-9(8-16-15)6-10(13)12(11)14/h6-8H,2-5,15H2,1H3
InChIKeyZSNNXYDBUHGPRA-UHFFFAOYSA-N
MW242.27 g/mol
LogP2.83
Rot. Bonds6

About (3,4-difluoro-5-pentoxyphenyl)methylidenehydrazine

(3,4-difluoro-5-pentoxyphenyl)methylidenehydrazine (PubChem CID 168529285) has the molecular formula C12H16F2N2O and a molecular weight of 242.27 g/mol. Its IUPAC name is (3,4-difluoro-5-pentoxyphenyl)methylidenehydrazine.

Molecular Properties

Compound Name(3,4-difluoro-5-pentoxyphenyl)methylidenehydrazine
PubChem CID168529285
Molecular FormulaC12H16F2N2O
Molecular Weight242.27 g/mol
Exact Mass242.12
IUPAC Name(3,4-difluoro-5-pentoxyphenyl)methylidenehydrazine
SMILESCCCCCOc1cc(C=NN)cc(F)c1F
InChIInChI=1S/C12H16F2N2O/c1-2-3-4-5-17-11-7-9(8-16-15)6-10(13)12(11)14/h6-8H,2-5,15H2,1H3
InChIKeyZSNNXYDBUHGPRA-UHFFFAOYSA-N
XLogP2.83
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3,4-difluoro-5-pentoxyphenyl)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

N-[(3,4-difluoro-5-pentoxyphenyl)methylideneamino]aniline
CID 169381901
1-[(3,4-difluoro-5-hexoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168628950
(4-fluoro-3-propoxyphenyl)methylidenehydrazine
CID 168529277
(3-methyl-4-pentoxyphenyl)methylidenehydrazine
CID 168529268
(5-fluoro-2-hexoxyphenyl)methylidenehydrazine
CID 168529261
5-bromo-1-decoxy-2,3-difluorobenzene
CID 107098815
(3-butoxy-4-methoxyphenyl)methylidenehydrazine
CID 168529239
N-[(3,4-difluoro-5-propoxyphenyl)methylideneamino]aniline
CID 169381912
2-[(3-butoxy-4,5-difluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574330
(4-heptoxyphenyl)methylidenehydrazine
CID 168529039
2-[(3-ethoxy-4,5-difluorophenyl)methylideneamino]guanidine
CID 168590943
(2,6-dimethyl-4-pentoxyphenyl)methylidenehydrazine
CID 168529284

Frequently Asked Questions

What is the IUPAC name of (3,4-difluoro-5-pentoxyphenyl)methylidenehydrazine?
The IUPAC name of (3,4-difluoro-5-pentoxyphenyl)methylidenehydrazine (CID 168529285) is (3,4-difluoro-5-pentoxyphenyl)methylidenehydrazine.
What is the SMILES notation for (3,4-difluoro-5-pentoxyphenyl)methylidenehydrazine?
The canonical SMILES for (3,4-difluoro-5-pentoxyphenyl)methylidenehydrazine is CCCCCOc1cc(C=NN)cc(F)c1F.
What is the InChIKey of (3,4-difluoro-5-pentoxyphenyl)methylidenehydrazine?
The InChIKey is ZSNNXYDBUHGPRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O/c1-2-3-4-5-17-11-7-9(8-16-15)6-10(13)12(11)14/h6-8H,2-5,15H2,1H3.
What are the key properties of (3,4-difluoro-5-pentoxyphenyl)methylidenehydrazine?
(3,4-difluoro-5-pentoxyphenyl)methylidenehydrazine has a molecular weight of 242.27 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-difluoro-5-pentoxyphenyl)methylidenehydrazine is sourced from PubChem (CID 168529285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).