1,2-diethoxy-2-(ethoxymethyl)-3-fluorobutane

C11H23FO3 — CID 22164486

IUPAC1,2-diethoxy-2-(ethoxymethyl)-3-fluorobutane
SMILESCCOCC(COCC)(OCC)C(C)F
InChIInChI=1S/C11H23FO3/c1-5-13-8-11(10(4)12,15-7-3)9-14-6-2/h10H,5-9H2,1-4H3
InChIKeyPUWOBXBYWVODNW-UHFFFAOYSA-N
MW222.30 g/mol
LogP2.19
Rot. Bonds9

About 1,2-diethoxy-2-(ethoxymethyl)-3-fluorobutane

1,2-diethoxy-2-(ethoxymethyl)-3-fluorobutane (PubChem CID 22164486) has the molecular formula C11H23FO3 and a molecular weight of 222.30 g/mol. Its IUPAC name is 1,2-diethoxy-2-(ethoxymethyl)-3-fluorobutane.

Molecular Properties

Compound Name1,2-diethoxy-2-(ethoxymethyl)-3-fluorobutane
PubChem CID22164486
Molecular FormulaC11H23FO3
Molecular Weight222.30 g/mol
Exact Mass222.16
IUPAC Name1,2-diethoxy-2-(ethoxymethyl)-3-fluorobutane
SMILESCCOCC(COCC)(OCC)C(C)F
InChIInChI=1S/C11H23FO3/c1-5-13-8-11(10(4)12,15-7-3)9-14-6-2/h10H,5-9H2,1-4H3
InChIKeyPUWOBXBYWVODNW-UHFFFAOYSA-N
XLogP2.19
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.30
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Butane, 1-(2-(2-(1,1-dimethylethoxy)ethoxy)ethoxy)-
CID 104323
Butane, 1-[2-(1,1-dimethylethoxy)ethoxy]-
CID 109580
1-(2-Fluoroethoxy)-2-(2-fluoroethoxymethyl)-2-methoxybutane
CID 20783120
2-Ethoxy-3-(2-fluoropropan-2-yloxy)-2,3-dimethylbutane
CID 58862902
2-[(2S)-1-(fluoromethoxy)propan-2-yl]oxy-2-methylpropane
CID 59205096
1-(2-Fluoropropan-2-yloxy)-3-methoxy-3-methylbutane
CID 121265020
3-[2,3-Bis[[4-(2-fluoropropan-2-yloxy)-2-methylbutan-2-yl]oxy]propoxy]-3-methyl-1-propan-2-yloxybutane
CID 121265039
3-(Fluoromethoxy)-1-(2-fluoropropan-2-yloxy)-3-methylbutane
CID 121265047
[4-(2-Fluoropropan-2-yloxy)-2-methylbutan-2-yl] hypoiodite
CID 121265131
3-Methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-3-(2,2,2-trifluoroethoxy)butane
CID 130376585
1-Fluoro-2-methoxy-2-methyl-1-[(2-methylpropan-2-yl)oxy]propane
CID 132235642
1,1,1-Trifluoro-3-methyl-3-[3-methyl-3-(2-methylbutan-2-yloxy)butoxy]butane
CID 139396332

Frequently Asked Questions

What is the IUPAC name of 1,2-diethoxy-2-(ethoxymethyl)-3-fluorobutane?
The IUPAC name of 1,2-diethoxy-2-(ethoxymethyl)-3-fluorobutane (CID 22164486) is 1,2-diethoxy-2-(ethoxymethyl)-3-fluorobutane.
What is the SMILES notation for 1,2-diethoxy-2-(ethoxymethyl)-3-fluorobutane?
The canonical SMILES for 1,2-diethoxy-2-(ethoxymethyl)-3-fluorobutane is CCOCC(COCC)(OCC)C(C)F.
What is the InChIKey of 1,2-diethoxy-2-(ethoxymethyl)-3-fluorobutane?
The InChIKey is PUWOBXBYWVODNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23FO3/c1-5-13-8-11(10(4)12,15-7-3)9-14-6-2/h10H,5-9H2,1-4H3.
What are the key properties of 1,2-diethoxy-2-(ethoxymethyl)-3-fluorobutane?
1,2-diethoxy-2-(ethoxymethyl)-3-fluorobutane has a molecular weight of 222.30 g/mol, XLogP of 2.19, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diethoxy-2-(ethoxymethyl)-3-fluorobutane is sourced from PubChem (CID 22164486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).