1,1,1,2-tetrafluoro-2-(fluoromethoxy)butane

C5H7F5O — CID 23529535

IUPAC1,1,1,2-tetrafluoro-2-(fluoromethoxy)butane
SMILESCCC(F)(OCF)C(F)(F)F
InChIInChI=1S/C5H7F5O/c1-2-4(7,11-3-6)5(8,9)10/h2-3H2,1H3
InChIKeyFDRWVRKOHSDIER-UHFFFAOYSA-N
MW178.10 g/mol
LogP2.57
Rot. Bonds3

About 1,1,1,2-tetrafluoro-2-(fluoromethoxy)butane

1,1,1,2-tetrafluoro-2-(fluoromethoxy)butane (PubChem CID 23529535) has the molecular formula C5H7F5O and a molecular weight of 178.10 g/mol. Its IUPAC name is 1,1,1,2-tetrafluoro-2-(fluoromethoxy)butane.

Molecular Properties

Compound Name1,1,1,2-tetrafluoro-2-(fluoromethoxy)butane
PubChem CID23529535
Molecular FormulaC5H7F5O
Molecular Weight178.10 g/mol
Exact Mass178.04
IUPAC Name1,1,1,2-tetrafluoro-2-(fluoromethoxy)butane
SMILESCCC(F)(OCF)C(F)(F)F
InChIInChI=1S/C5H7F5O/c1-2-4(7,11-3-6)5(8,9)10/h2-3H2,1H3
InChIKeyFDRWVRKOHSDIER-UHFFFAOYSA-N
XLogP2.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.10
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,2-tetrafluoro-2-(fluoromethoxy)butane?
The IUPAC name of 1,1,1,2-tetrafluoro-2-(fluoromethoxy)butane (CID 23529535) is 1,1,1,2-tetrafluoro-2-(fluoromethoxy)butane.
What is the SMILES notation for 1,1,1,2-tetrafluoro-2-(fluoromethoxy)butane?
The canonical SMILES for 1,1,1,2-tetrafluoro-2-(fluoromethoxy)butane is CCC(F)(OCF)C(F)(F)F.
What is the InChIKey of 1,1,1,2-tetrafluoro-2-(fluoromethoxy)butane?
The InChIKey is FDRWVRKOHSDIER-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F5O/c1-2-4(7,11-3-6)5(8,9)10/h2-3H2,1H3.
What are the key properties of 1,1,1,2-tetrafluoro-2-(fluoromethoxy)butane?
1,1,1,2-tetrafluoro-2-(fluoromethoxy)butane has a molecular weight of 178.10 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2-tetrafluoro-2-(fluoromethoxy)butane is sourced from PubChem (CID 23529535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).