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

C6H9F5O — CID 57199852

IUPAC2-ethoxy-1,1,1,3,4-pentafluorobutane
SMILESCCOC(C(F)CF)C(F)(F)F
InChIInChI=1S/C6H9F5O/c1-2-12-5(4(8)3-7)6(9,10)11/h4-5H,2-3H2,1H3
InChIKeyXHCZIIPMGNMLNC-UHFFFAOYSA-N
MW192.13 g/mol
LogP2.26
Rot. Bonds4

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

2-ethoxy-1,1,1,3,4-pentafluorobutane (PubChem CID 57199852) has the molecular formula C6H9F5O and a molecular weight of 192.13 g/mol. Its IUPAC name is 2-ethoxy-1,1,1,3,4-pentafluorobutane.

Molecular Properties

Compound Name2-ethoxy-1,1,1,3,4-pentafluorobutane
PubChem CID57199852
Molecular FormulaC6H9F5O
Molecular Weight192.13 g/mol
Exact Mass192.06
IUPAC Name2-ethoxy-1,1,1,3,4-pentafluorobutane
SMILESCCOC(C(F)CF)C(F)(F)F
InChIInChI=1S/C6H9F5O/c1-2-12-5(4(8)3-7)6(9,10)11/h4-5H,2-3H2,1H3
InChIKeyXHCZIIPMGNMLNC-UHFFFAOYSA-N
XLogP2.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
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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Related Compounds

3-ethoxy-1,2,2,4-tetrafluoropentane
CID 57247223
3-ethoxy-1,1,2,2,4-pentafluoropentane
CID 57087164
3-ethoxy-1,1,2,4,4-pentafluoropentane
CID 54231130
1-ethoxy-2,2,2-trifluoroethanol
CID 9897
3-ethoxy-1,1,2,2,4,4-hexafluoropentane
CID 54023410
3-ethoxy-1,1,2,2,5-pentafluoropentane
CID 54131006
3-ethoxy-1,1,1,2,2,4,4,4-octafluorobutane
CID 54448853
1-ethoxy-2,2,2-trifluoro-N-methylethanamine
CID 58790311
3-ethoxy-1,1,1-trifluoro-2-propoxypropane
CID 88691879
2,2-dimethyl-1-(1,1,1,3,3-pentafluoropropan-2-yloxy)propane
CID 150347189
1-ethoxy-1-fluoro-2-methoxyethane
CID 177367810
3-ethoxy-1,1,1,5-tetrafluoropentane
CID 54449728

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1,1,1,3,4-pentafluorobutane?
The IUPAC name of 2-ethoxy-1,1,1,3,4-pentafluorobutane (CID 57199852) is 2-ethoxy-1,1,1,3,4-pentafluorobutane.
What is the SMILES notation for 2-ethoxy-1,1,1,3,4-pentafluorobutane?
The canonical SMILES for 2-ethoxy-1,1,1,3,4-pentafluorobutane is CCOC(C(F)CF)C(F)(F)F.
What is the InChIKey of 2-ethoxy-1,1,1,3,4-pentafluorobutane?
The InChIKey is XHCZIIPMGNMLNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F5O/c1-2-12-5(4(8)3-7)6(9,10)11/h4-5H,2-3H2,1H3.
What are the key properties of 2-ethoxy-1,1,1,3,4-pentafluorobutane?
2-ethoxy-1,1,1,3,4-pentafluorobutane has a molecular weight of 192.13 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1,1,1,3,4-pentafluorobutane is sourced from PubChem (CID 57199852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).