2-fluoro-1-methoxy-3,3-dimethylbutane

C7H15FO — CID 167216400

IUPAC2-fluoro-1-methoxy-3,3-dimethylbutane
SMILESCOCC(F)C(C)(C)C
InChIInChI=1S/C7H15FO/c1-7(2,3)6(8)5-9-4/h6H,5H2,1-4H3
InChIKeyJVTSVDBFRSFKOT-UHFFFAOYSA-N
MW134.19 g/mol
LogP2.02
Rot. Bonds2

About 2-fluoro-1-methoxy-3,3-dimethylbutane

2-fluoro-1-methoxy-3,3-dimethylbutane (PubChem CID 167216400) has the molecular formula C7H15FO and a molecular weight of 134.19 g/mol. Its IUPAC name is 2-fluoro-1-methoxy-3,3-dimethylbutane.

Molecular Properties

Compound Name2-fluoro-1-methoxy-3,3-dimethylbutane
PubChem CID167216400
Molecular FormulaC7H15FO
Molecular Weight134.19 g/mol
Exact Mass134.11
IUPAC Name2-fluoro-1-methoxy-3,3-dimethylbutane
SMILESCOCC(F)C(C)(C)C
InChIInChI=1S/C7H15FO/c1-7(2,3)6(8)5-9-4/h6H,5H2,1-4H3
InChIKeyJVTSVDBFRSFKOT-UHFFFAOYSA-N
XLogP2.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.19
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-methoxy-3,3-dimethylbutane?
The IUPAC name of 2-fluoro-1-methoxy-3,3-dimethylbutane (CID 167216400) is 2-fluoro-1-methoxy-3,3-dimethylbutane.
What is the SMILES notation for 2-fluoro-1-methoxy-3,3-dimethylbutane?
The canonical SMILES for 2-fluoro-1-methoxy-3,3-dimethylbutane is COCC(F)C(C)(C)C.
What is the InChIKey of 2-fluoro-1-methoxy-3,3-dimethylbutane?
The InChIKey is JVTSVDBFRSFKOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15FO/c1-7(2,3)6(8)5-9-4/h6H,5H2,1-4H3.
What are the key properties of 2-fluoro-1-methoxy-3,3-dimethylbutane?
2-fluoro-1-methoxy-3,3-dimethylbutane has a molecular weight of 134.19 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-methoxy-3,3-dimethylbutane is sourced from PubChem (CID 167216400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).