1-(2-fluoropropan-2-yloxy)-3-methoxy-3-methylbutane

C9H19FO2 — CID 121265020

IUPAC1-(2-fluoropropan-2-yloxy)-3-methoxy-3-methylbutane
SMILESCOC(C)(C)CCOC(C)(C)F
InChIInChI=1S/C9H19FO2/c1-8(2,11-5)6-7-12-9(3,4)10/h6-7H2,1-5H3
InChIKeyPUIPHVNFHCWONQ-UHFFFAOYSA-N
MW178.25 g/mol
LogP2.52
Rot. Bonds5

About 1-(2-fluoropropan-2-yloxy)-3-methoxy-3-methylbutane

1-(2-fluoropropan-2-yloxy)-3-methoxy-3-methylbutane (PubChem CID 121265020) has the molecular formula C9H19FO2 and a molecular weight of 178.25 g/mol. Its IUPAC name is 1-(2-fluoropropan-2-yloxy)-3-methoxy-3-methylbutane.

Molecular Properties

Compound Name1-(2-fluoropropan-2-yloxy)-3-methoxy-3-methylbutane
PubChem CID121265020
Molecular FormulaC9H19FO2
Molecular Weight178.25 g/mol
Exact Mass178.14
IUPAC Name1-(2-fluoropropan-2-yloxy)-3-methoxy-3-methylbutane
SMILESCOC(C)(C)CCOC(C)(C)F
InChIInChI=1S/C9H19FO2/c1-8(2,11-5)6-7-12-9(3,4)10/h6-7H2,1-5H3
InChIKeyPUIPHVNFHCWONQ-UHFFFAOYSA-N
XLogP2.52
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.25
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoropropan-2-yloxy)-3-methoxy-3-methylbutane?
The IUPAC name of 1-(2-fluoropropan-2-yloxy)-3-methoxy-3-methylbutane (CID 121265020) is 1-(2-fluoropropan-2-yloxy)-3-methoxy-3-methylbutane.
What is the SMILES notation for 1-(2-fluoropropan-2-yloxy)-3-methoxy-3-methylbutane?
The canonical SMILES for 1-(2-fluoropropan-2-yloxy)-3-methoxy-3-methylbutane is COC(C)(C)CCOC(C)(C)F.
What is the InChIKey of 1-(2-fluoropropan-2-yloxy)-3-methoxy-3-methylbutane?
The InChIKey is PUIPHVNFHCWONQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19FO2/c1-8(2,11-5)6-7-12-9(3,4)10/h6-7H2,1-5H3.
What are the key properties of 1-(2-fluoropropan-2-yloxy)-3-methoxy-3-methylbutane?
1-(2-fluoropropan-2-yloxy)-3-methoxy-3-methylbutane has a molecular weight of 178.25 g/mol, XLogP of 2.52, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoropropan-2-yloxy)-3-methoxy-3-methylbutane is sourced from PubChem (CID 121265020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).