1-ethoxy-3-fluoro-2-methylpropane

C6H13FO — CID 22002896

IUPAC1-ethoxy-3-fluoro-2-methylpropane
SMILESCCOCC(C)CF
InChIInChI=1S/C6H13FO/c1-3-8-5-6(2)4-7/h6H,3-5H2,1-2H3
InChIKeyJDRHCPSZXSPNQM-UHFFFAOYSA-N
MW120.17 g/mol
LogP1.63
Rot. Bonds4

About 1-ethoxy-3-fluoro-2-methylpropane

1-ethoxy-3-fluoro-2-methylpropane (PubChem CID 22002896) has the molecular formula C6H13FO and a molecular weight of 120.17 g/mol. Its IUPAC name is 1-ethoxy-3-fluoro-2-methylpropane.

Molecular Properties

Compound Name1-ethoxy-3-fluoro-2-methylpropane
PubChem CID22002896
Molecular FormulaC6H13FO
Molecular Weight120.17 g/mol
Exact Mass120.10
IUPAC Name1-ethoxy-3-fluoro-2-methylpropane
SMILESCCOCC(C)CF
InChIInChI=1S/C6H13FO/c1-3-8-5-6(2)4-7/h6H,3-5H2,1-2H3
InChIKeyJDRHCPSZXSPNQM-UHFFFAOYSA-N
XLogP1.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.17
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Ether, isobutyl methyl
CID 12250
1-Ethoxy-2-methylpropane
CID 69386
Propane, 2-methyl-1-propoxy-
CID 139920
Fluorodiethyl ether
CID 21616970
1-(2,2,3,3-Tetrafluoropropyloxy)-2-methylpropane
CID 90992962
2-Fluoro-1-methoxypropane
CID 12700780
1-(2-Fluoropropoxy)butane
CID 15062442
2-Methyl-1-(2,2,2-trifluoroethoxy)propane
CID 12095509
1-Ethoxy-2-fluoroethane
CID 13569461
1-(2-Fluoroethoxy)butane
CID 14625835
1-(3-Fluoropropoxy)butane
CID 18335870
3-Fluoropropyl methyl ether
CID 18335957

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-3-fluoro-2-methylpropane?
The IUPAC name of 1-ethoxy-3-fluoro-2-methylpropane (CID 22002896) is 1-ethoxy-3-fluoro-2-methylpropane.
What is the SMILES notation for 1-ethoxy-3-fluoro-2-methylpropane?
The canonical SMILES for 1-ethoxy-3-fluoro-2-methylpropane is CCOCC(C)CF.
What is the InChIKey of 1-ethoxy-3-fluoro-2-methylpropane?
The InChIKey is JDRHCPSZXSPNQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13FO/c1-3-8-5-6(2)4-7/h6H,3-5H2,1-2H3.
What are the key properties of 1-ethoxy-3-fluoro-2-methylpropane?
1-ethoxy-3-fluoro-2-methylpropane has a molecular weight of 120.17 g/mol, XLogP of 1.63, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-3-fluoro-2-methylpropane is sourced from PubChem (CID 22002896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).