butan-1-ol;ethane;3-ethyl-6-(1-fluoroethyl)pyridazine

C14H27FN2O — CID 176685935

IUPACbutan-1-ol;ethane;3-ethyl-6-(1-fluoroethyl)pyridazine
SMILESCC.CCCCO.CCc1ccc(C(C)F)nn1
InChIInChI=1S/C8H11FN2.C4H10O.C2H6/c1-3-7-4-5-8(6(2)9)11-10-7;1-2-3-4-5;1-2/h4-6H,3H2,1-2H3;5H,2-4H2,1H3;1-2H3
InChIKeyNIPWMJNTLMYMLN-UHFFFAOYSA-N
MW258.38 g/mol
LogP3.87
Rot. Bonds4

About butan-1-ol;ethane;3-ethyl-6-(1-fluoroethyl)pyridazine

butan-1-ol;ethane;3-ethyl-6-(1-fluoroethyl)pyridazine (PubChem CID 176685935) has the molecular formula C14H27FN2O and a molecular weight of 258.38 g/mol. Its IUPAC name is butan-1-ol;ethane;3-ethyl-6-(1-fluoroethyl)pyridazine.

Molecular Properties

Compound Namebutan-1-ol;ethane;3-ethyl-6-(1-fluoroethyl)pyridazine
PubChem CID176685935
Molecular FormulaC14H27FN2O
Molecular Weight258.38 g/mol
Exact Mass258.21
IUPAC Namebutan-1-ol;ethane;3-ethyl-6-(1-fluoroethyl)pyridazine
SMILESCC.CCCCO.CCc1ccc(C(C)F)nn1
InChIInChI=1S/C8H11FN2.C4H10O.C2H6/c1-3-7-4-5-8(6(2)9)11-10-7;1-2-3-4-5;1-2/h4-6H,3H2,1-2H3;5H,2-4H2,1H3;1-2H3
InChIKeyNIPWMJNTLMYMLN-UHFFFAOYSA-N
XLogP3.87
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.38
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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butan-1-ol;methanol;propan-2-ol
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dodecan-1-ol;ethane
CID 87449114
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CID 172752185
butan-1-ol;nickel
CID 22477011
sodium butan-1-ol
CID 19366054
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CID 173408910
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CID 19774960

Frequently Asked Questions

What is the IUPAC name of butan-1-ol;ethane;3-ethyl-6-(1-fluoroethyl)pyridazine?
The IUPAC name of butan-1-ol;ethane;3-ethyl-6-(1-fluoroethyl)pyridazine (CID 176685935) is butan-1-ol;ethane;3-ethyl-6-(1-fluoroethyl)pyridazine.
What is the SMILES notation for butan-1-ol;ethane;3-ethyl-6-(1-fluoroethyl)pyridazine?
The canonical SMILES for butan-1-ol;ethane;3-ethyl-6-(1-fluoroethyl)pyridazine is CC.CCCCO.CCc1ccc(C(C)F)nn1.
What is the InChIKey of butan-1-ol;ethane;3-ethyl-6-(1-fluoroethyl)pyridazine?
The InChIKey is NIPWMJNTLMYMLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2.C4H10O.C2H6/c1-3-7-4-5-8(6(2)9)11-10-7;1-2-3-4-5;1-2/h4-6H,3H2,1-2H3;5H,2-4H2,1H3;1-2H3.
What are the key properties of butan-1-ol;ethane;3-ethyl-6-(1-fluoroethyl)pyridazine?
butan-1-ol;ethane;3-ethyl-6-(1-fluoroethyl)pyridazine has a molecular weight of 258.38 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butan-1-ol;ethane;3-ethyl-6-(1-fluoroethyl)pyridazine is sourced from PubChem (CID 176685935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).