7-[2,3-difluoro-4-(6-prop-2-enoxypyridazin-3-yl)phenyl]hept-6-en-2-ol

C20H22F2N2O2 — CID 70263083

IUPAC7-[2,3-difluoro-4-(6-prop-2-enoxypyridazin-3-yl)phenyl]hept-6-en-2-ol
SMILESC=CCOc1ccc(-c2ccc(C=CCCCC(C)O)c(F)c2F)nn1
InChIInChI=1S/C20H22F2N2O2/c1-3-13-26-18-12-11-17(23-24-18)16-10-9-15(19(21)20(16)22)8-6-4-5-7-14(2)25/h3,6,8-12,14,25H,1,4-5,7,13H2,2H3
InChIKeyFAUOHWKQSXVUGC-UHFFFAOYSA-N
MW360.40 g/mol
LogP4.55
Rot. Bonds9

About 7-[2,3-difluoro-4-(6-prop-2-enoxypyridazin-3-yl)phenyl]hept-6-en-2-ol

7-[2,3-difluoro-4-(6-prop-2-enoxypyridazin-3-yl)phenyl]hept-6-en-2-ol (PubChem CID 70263083) has the molecular formula C20H22F2N2O2 and a molecular weight of 360.40 g/mol. Its IUPAC name is 7-[2,3-difluoro-4-(6-prop-2-enoxypyridazin-3-yl)phenyl]hept-6-en-2-ol.

Molecular Properties

Compound Name7-[2,3-difluoro-4-(6-prop-2-enoxypyridazin-3-yl)phenyl]hept-6-en-2-ol
PubChem CID70263083
Molecular FormulaC20H22F2N2O2
Molecular Weight360.40 g/mol
Exact Mass360.16
IUPAC Name7-[2,3-difluoro-4-(6-prop-2-enoxypyridazin-3-yl)phenyl]hept-6-en-2-ol
SMILESC=CCOc1ccc(-c2ccc(C=CCCCC(C)O)c(F)c2F)nn1
InChIInChI=1S/C20H22F2N2O2/c1-3-13-26-18-12-11-17(23-24-18)16-10-9-15(19(21)20(16)22)8-6-4-5-7-14(2)25/h3,6,8-12,14,25H,1,4-5,7,13H2,2H3
InChIKeyFAUOHWKQSXVUGC-UHFFFAOYSA-N
XLogP4.55
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.40
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 7-[2,3-difluoro-4-(6-prop-2-enoxypyridazin-3-yl)phenyl]hept-6-en-2-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-[2,3-difluoro-4-(6-prop-2-enoxypyridazin-3-yl)phenyl]hept-6-en-2-ol?
The IUPAC name of 7-[2,3-difluoro-4-(6-prop-2-enoxypyridazin-3-yl)phenyl]hept-6-en-2-ol (CID 70263083) is 7-[2,3-difluoro-4-(6-prop-2-enoxypyridazin-3-yl)phenyl]hept-6-en-2-ol.
What is the SMILES notation for 7-[2,3-difluoro-4-(6-prop-2-enoxypyridazin-3-yl)phenyl]hept-6-en-2-ol?
The canonical SMILES for 7-[2,3-difluoro-4-(6-prop-2-enoxypyridazin-3-yl)phenyl]hept-6-en-2-ol is C=CCOc1ccc(-c2ccc(C=CCCCC(C)O)c(F)c2F)nn1.
What is the InChIKey of 7-[2,3-difluoro-4-(6-prop-2-enoxypyridazin-3-yl)phenyl]hept-6-en-2-ol?
The InChIKey is FAUOHWKQSXVUGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N2O2/c1-3-13-26-18-12-11-17(23-24-18)16-10-9-15(19(21)20(16)22)8-6-4-5-7-14(2)25/h3,6,8-12,14,25H,1,4-5,7,13H2,2H3.
What are the key properties of 7-[2,3-difluoro-4-(6-prop-2-enoxypyridazin-3-yl)phenyl]hept-6-en-2-ol?
7-[2,3-difluoro-4-(6-prop-2-enoxypyridazin-3-yl)phenyl]hept-6-en-2-ol has a molecular weight of 360.40 g/mol, XLogP of 4.55, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2,3-difluoro-4-(6-prop-2-enoxypyridazin-3-yl)phenyl]hept-6-en-2-ol is sourced from PubChem (CID 70263083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).