3-fluoro-2-methoxy-2-methylbutane

C6H13FO — CID 12700783

IUPAC3-fluoro-2-methoxy-2-methylbutane
SMILESCOC(C)(C)C(C)F
InChIInChI=1S/C6H13FO/c1-5(7)6(2,3)8-4/h5H,1-4H3
InChIKeyQVKREZNHBYEGJO-UHFFFAOYSA-N
MW120.17 g/mol
LogP1.77
Rot. Bonds2

About 3-fluoro-2-methoxy-2-methylbutane

3-fluoro-2-methoxy-2-methylbutane (PubChem CID 12700783) has the molecular formula C6H13FO and a molecular weight of 120.17 g/mol. Its IUPAC name is 3-fluoro-2-methoxy-2-methylbutane.

Molecular Properties

Compound Name3-fluoro-2-methoxy-2-methylbutane
PubChem CID12700783
Molecular FormulaC6H13FO
Molecular Weight120.17 g/mol
Exact Mass120.10
IUPAC Name3-fluoro-2-methoxy-2-methylbutane
SMILESCOC(C)(C)C(C)F
InChIInChI=1S/C6H13FO/c1-5(7)6(2,3)8-4/h5H,1-4H3
InChIKeyQVKREZNHBYEGJO-UHFFFAOYSA-N
XLogP1.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.17
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-methoxy-2-methylbutane?
The IUPAC name of 3-fluoro-2-methoxy-2-methylbutane (CID 12700783) is 3-fluoro-2-methoxy-2-methylbutane.
What is the SMILES notation for 3-fluoro-2-methoxy-2-methylbutane?
The canonical SMILES for 3-fluoro-2-methoxy-2-methylbutane is COC(C)(C)C(C)F.
What is the InChIKey of 3-fluoro-2-methoxy-2-methylbutane?
The InChIKey is QVKREZNHBYEGJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13FO/c1-5(7)6(2,3)8-4/h5H,1-4H3.
What are the key properties of 3-fluoro-2-methoxy-2-methylbutane?
3-fluoro-2-methoxy-2-methylbutane has a molecular weight of 120.17 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-methoxy-2-methylbutane is sourced from PubChem (CID 12700783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).