4-ethoxy-1,1,2,3,3-pentafluorobutane

C6H9F5O — CID 19063483

IUPAC4-ethoxy-1,1,2,3,3-pentafluorobutane
SMILESCCOCC(F)(F)C(F)C(F)F
InChIInChI=1S/C6H9F5O/c1-2-12-3-6(10,11)4(7)5(8)9/h4-5H,2-3H2,1H3
InChIKeyUBXKVIZZVHHDQZ-UHFFFAOYSA-N
MW192.13 g/mol
LogP2.26
Rot. Bonds5

About 4-ethoxy-1,1,2,3,3-pentafluorobutane

4-ethoxy-1,1,2,3,3-pentafluorobutane (PubChem CID 19063483) has the molecular formula C6H9F5O and a molecular weight of 192.13 g/mol. Its IUPAC name is 4-ethoxy-1,1,2,3,3-pentafluorobutane.

Molecular Properties

Compound Name4-ethoxy-1,1,2,3,3-pentafluorobutane
PubChem CID19063483
Molecular FormulaC6H9F5O
Molecular Weight192.13 g/mol
Exact Mass192.06
IUPAC Name4-ethoxy-1,1,2,3,3-pentafluorobutane
SMILESCCOCC(F)(F)C(F)C(F)F
InChIInChI=1S/C6H9F5O/c1-2-12-3-6(10,11)4(7)5(8)9/h4-5H,2-3H2,1H3
InChIKeyUBXKVIZZVHHDQZ-UHFFFAOYSA-N
XLogP2.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.13
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-1,1,2,3,3-pentafluorobutane?
The IUPAC name of 4-ethoxy-1,1,2,3,3-pentafluorobutane (CID 19063483) is 4-ethoxy-1,1,2,3,3-pentafluorobutane.
What is the SMILES notation for 4-ethoxy-1,1,2,3,3-pentafluorobutane?
The canonical SMILES for 4-ethoxy-1,1,2,3,3-pentafluorobutane is CCOCC(F)(F)C(F)C(F)F.
What is the InChIKey of 4-ethoxy-1,1,2,3,3-pentafluorobutane?
The InChIKey is UBXKVIZZVHHDQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F5O/c1-2-12-3-6(10,11)4(7)5(8)9/h4-5H,2-3H2,1H3.
What are the key properties of 4-ethoxy-1,1,2,3,3-pentafluorobutane?
4-ethoxy-1,1,2,3,3-pentafluorobutane has a molecular weight of 192.13 g/mol, XLogP of 2.26, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-1,1,2,3,3-pentafluorobutane is sourced from PubChem (CID 19063483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).