1-ethoxy-1-fluoro-2-(fluoromethyl)butane

C7H14F2O — CID 21357107

IUPAC1-ethoxy-1-fluoro-2-(fluoromethyl)butane
SMILESCCOC(F)C(CC)CF
InChIInChI=1S/C7H14F2O/c1-3-6(5-8)7(9)10-4-2/h6-7H,3-5H2,1-2H3
InChIKeyFBAURRXGYZYQLK-UHFFFAOYSA-N
MW152.18 g/mol
LogP2.31
Rot. Bonds5

About 1-ethoxy-1-fluoro-2-(fluoromethyl)butane

1-ethoxy-1-fluoro-2-(fluoromethyl)butane (PubChem CID 21357107) has the molecular formula C7H14F2O and a molecular weight of 152.18 g/mol. Its IUPAC name is 1-ethoxy-1-fluoro-2-(fluoromethyl)butane.

Molecular Properties

Compound Name1-ethoxy-1-fluoro-2-(fluoromethyl)butane
PubChem CID21357107
Molecular FormulaC7H14F2O
Molecular Weight152.18 g/mol
Exact Mass152.10
IUPAC Name1-ethoxy-1-fluoro-2-(fluoromethyl)butane
SMILESCCOC(F)C(CC)CF
InChIInChI=1S/C7H14F2O/c1-3-6(5-8)7(9)10-4-2/h6-7H,3-5H2,1-2H3
InChIKeyFBAURRXGYZYQLK-UHFFFAOYSA-N
XLogP2.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.18
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,2,3,3-Tetrafluoropropyloxy)-3-methylbutane
CID 129766049
4-Ethoxy-1,2,2-trifluoro-3-methylbutane
CID 15507745
2-Methyl-1-(2,2,2-trifluoroethoxy)propane
CID 12095509
1,3-Difluoro-2-(3-fluorobutoxymethyl)butane
CID 18335869
4-Butoxy-1-fluoro-2-methylbutane
CID 20651931
1,2-Difluoro-2-(3-fluoropropoxymethyl)butane
CID 20676458
2-Methyl-1-(2,2,3,3,3-pentafluoropropoxy)butane
CID 20793147
1-Ethoxy-1,1-difluoro-2-methylbutane
CID 20802235
2-Fluoro-3-(fluoromethyl)oxolane
CID 21357108
2-Methyl-1-(4,4,4-trifluorobutoxy)butane
CID 21657863
2-Methyl-1-(3,3,3-trifluoropropoxy)butane
CID 21657872
3-Butoxy-1,1,1-trifluoro-2-methylpropane
CID 22002881

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-1-fluoro-2-(fluoromethyl)butane?
The IUPAC name of 1-ethoxy-1-fluoro-2-(fluoromethyl)butane (CID 21357107) is 1-ethoxy-1-fluoro-2-(fluoromethyl)butane.
What is the SMILES notation for 1-ethoxy-1-fluoro-2-(fluoromethyl)butane?
The canonical SMILES for 1-ethoxy-1-fluoro-2-(fluoromethyl)butane is CCOC(F)C(CC)CF.
What is the InChIKey of 1-ethoxy-1-fluoro-2-(fluoromethyl)butane?
The InChIKey is FBAURRXGYZYQLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F2O/c1-3-6(5-8)7(9)10-4-2/h6-7H,3-5H2,1-2H3.
What are the key properties of 1-ethoxy-1-fluoro-2-(fluoromethyl)butane?
1-ethoxy-1-fluoro-2-(fluoromethyl)butane has a molecular weight of 152.18 g/mol, XLogP of 2.31, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-1-fluoro-2-(fluoromethyl)butane is sourced from PubChem (CID 21357107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).