2-ethoxy-2-fluorobutane

C6H13FO — CID 89114459

IUPAC2-ethoxy-2-fluorobutane
SMILESCCOC(C)(F)CC
InChIInChI=1S/C6H13FO/c1-4-6(3,7)8-5-2/h4-5H2,1-3H3
InChIKeySSAAQKSVUPHMFN-UHFFFAOYSA-N
MW120.17 g/mol
LogP2.12
Rot. Bonds3

About 2-ethoxy-2-fluorobutane

2-ethoxy-2-fluorobutane (PubChem CID 89114459) has the molecular formula C6H13FO and a molecular weight of 120.17 g/mol. Its IUPAC name is 2-ethoxy-2-fluorobutane.

Molecular Properties

Compound Name2-ethoxy-2-fluorobutane
PubChem CID89114459
Molecular FormulaC6H13FO
Molecular Weight120.17 g/mol
Exact Mass120.10
IUPAC Name2-ethoxy-2-fluorobutane
SMILESCCOC(C)(F)CC
InChIInChI=1S/C6H13FO/c1-4-6(3,7)8-5-2/h4-5H2,1-3H3
InChIKeySSAAQKSVUPHMFN-UHFFFAOYSA-N
XLogP2.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.17
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-2-fluorobutane?
The IUPAC name of 2-ethoxy-2-fluorobutane (CID 89114459) is 2-ethoxy-2-fluorobutane.
What is the SMILES notation for 2-ethoxy-2-fluorobutane?
The canonical SMILES for 2-ethoxy-2-fluorobutane is CCOC(C)(F)CC.
What is the InChIKey of 2-ethoxy-2-fluorobutane?
The InChIKey is SSAAQKSVUPHMFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13FO/c1-4-6(3,7)8-5-2/h4-5H2,1-3H3.
What are the key properties of 2-ethoxy-2-fluorobutane?
2-ethoxy-2-fluorobutane has a molecular weight of 120.17 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-2-fluorobutane is sourced from PubChem (CID 89114459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).