3-[2-[4-(fluoromethyl)phenyl]ethyl]-6-pentylpyridazine

C18H23FN2 — CID 19789071

IUPAC3-[2-[4-(fluoromethyl)phenyl]ethyl]-6-pentylpyridazine
SMILESCCCCCc1ccc(CCc2ccc(CF)cc2)nn1
InChIInChI=1S/C18H23FN2/c1-2-3-4-5-17-12-13-18(21-20-17)11-10-15-6-8-16(14-19)9-7-15/h6-9,12-13H,2-5,10-11,14H2,1H3
InChIKeyBMEKUNKRALEUMA-UHFFFAOYSA-N
MW286.39 g/mol
LogP4.46
Rot. Bonds8

About 3-[2-[4-(fluoromethyl)phenyl]ethyl]-6-pentylpyridazine

3-[2-[4-(fluoromethyl)phenyl]ethyl]-6-pentylpyridazine (PubChem CID 19789071) has the molecular formula C18H23FN2 and a molecular weight of 286.39 g/mol. Its IUPAC name is 3-[2-[4-(fluoromethyl)phenyl]ethyl]-6-pentylpyridazine.

Molecular Properties

Compound Name3-[2-[4-(fluoromethyl)phenyl]ethyl]-6-pentylpyridazine
PubChem CID19789071
Molecular FormulaC18H23FN2
Molecular Weight286.39 g/mol
Exact Mass286.18
IUPAC Name3-[2-[4-(fluoromethyl)phenyl]ethyl]-6-pentylpyridazine
SMILESCCCCCc1ccc(CCc2ccc(CF)cc2)nn1
InChIInChI=1S/C18H23FN2/c1-2-3-4-5-17-12-13-18(21-20-17)11-10-15-6-8-16(14-19)9-7-15/h6-9,12-13H,2-5,10-11,14H2,1H3
InChIKeyBMEKUNKRALEUMA-UHFFFAOYSA-N
XLogP4.46
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.39
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(fluoromethyl)phenyl]ethyl]-6-pentylpyridazine?
The IUPAC name of 3-[2-[4-(fluoromethyl)phenyl]ethyl]-6-pentylpyridazine (CID 19789071) is 3-[2-[4-(fluoromethyl)phenyl]ethyl]-6-pentylpyridazine.
What is the SMILES notation for 3-[2-[4-(fluoromethyl)phenyl]ethyl]-6-pentylpyridazine?
The canonical SMILES for 3-[2-[4-(fluoromethyl)phenyl]ethyl]-6-pentylpyridazine is CCCCCc1ccc(CCc2ccc(CF)cc2)nn1.
What is the InChIKey of 3-[2-[4-(fluoromethyl)phenyl]ethyl]-6-pentylpyridazine?
The InChIKey is BMEKUNKRALEUMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2/c1-2-3-4-5-17-12-13-18(21-20-17)11-10-15-6-8-16(14-19)9-7-15/h6-9,12-13H,2-5,10-11,14H2,1H3.
What are the key properties of 3-[2-[4-(fluoromethyl)phenyl]ethyl]-6-pentylpyridazine?
3-[2-[4-(fluoromethyl)phenyl]ethyl]-6-pentylpyridazine has a molecular weight of 286.39 g/mol, XLogP of 4.46, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(fluoromethyl)phenyl]ethyl]-6-pentylpyridazine is sourced from PubChem (CID 19789071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).