3-ethoxy-1,2,2,4-tetrafluoropentane

C7H12F4O — CID 57247223

IUPAC3-ethoxy-1,2,2,4-tetrafluoropentane
SMILESCCOC(C(C)F)C(F)(F)CF
InChIInChI=1S/C7H12F4O/c1-3-12-6(5(2)9)7(10,11)4-8/h5-6H,3-4H2,1-2H3
InChIKeyOTFZCQWTFNXJIV-UHFFFAOYSA-N
MW188.16 g/mol
LogP2.35
Rot. Bonds5

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

3-ethoxy-1,2,2,4-tetrafluoropentane (PubChem CID 57247223) has the molecular formula C7H12F4O and a molecular weight of 188.16 g/mol. Its IUPAC name is 3-ethoxy-1,2,2,4-tetrafluoropentane.

Molecular Properties

Compound Name3-ethoxy-1,2,2,4-tetrafluoropentane
PubChem CID57247223
Molecular FormulaC7H12F4O
Molecular Weight188.16 g/mol
Exact Mass188.08
IUPAC Name3-ethoxy-1,2,2,4-tetrafluoropentane
SMILESCCOC(C(C)F)C(F)(F)CF
InChIInChI=1S/C7H12F4O/c1-3-12-6(5(2)9)7(10,11)4-8/h5-6H,3-4H2,1-2H3
InChIKeyOTFZCQWTFNXJIV-UHFFFAOYSA-N
XLogP2.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.16
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-ethoxy-1,1,2,2,4-pentafluoropentane
CID 57087164
2-ethoxy-1,1,1,3,4-pentafluorobutane
CID 57199852
3-ethoxy-1,1,2,4,4-pentafluoropentane
CID 54231130
4-ethoxy-1,2,2-trifluoro-3-methylbutane
CID 15507745
3-ethoxy-1,1,2,2,4,4-hexafluoropentane
CID 54023410
3-ethoxy-1,1,2,2,5-pentafluoropentane
CID 54131006
1,2,2-trifluoro-3-(fluoromethyl)pentane
CID 162612958
2-ethenoxy-1,1,1,3-tetrafluorobutane
CID 54405193
1,1-diethoxyethane
CID 7765
1-ethoxy-2,2,2-trifluoroethanol
CID 9897
1,1,1,2,2-pentafluoroethane;1,1,2,2,3-pentafluoropropane
CID 157410254
3-ethoxy-1,1,1,5-tetrafluoropentane
CID 54449728

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1,2,2,4-tetrafluoropentane?
The IUPAC name of 3-ethoxy-1,2,2,4-tetrafluoropentane (CID 57247223) is 3-ethoxy-1,2,2,4-tetrafluoropentane.
What is the SMILES notation for 3-ethoxy-1,2,2,4-tetrafluoropentane?
The canonical SMILES for 3-ethoxy-1,2,2,4-tetrafluoropentane is CCOC(C(C)F)C(F)(F)CF.
What is the InChIKey of 3-ethoxy-1,2,2,4-tetrafluoropentane?
The InChIKey is OTFZCQWTFNXJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F4O/c1-3-12-6(5(2)9)7(10,11)4-8/h5-6H,3-4H2,1-2H3.
What are the key properties of 3-ethoxy-1,2,2,4-tetrafluoropentane?
3-ethoxy-1,2,2,4-tetrafluoropentane has a molecular weight of 188.16 g/mol, XLogP of 2.35, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1,2,2,4-tetrafluoropentane is sourced from PubChem (CID 57247223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).