1-fluoro-1-methoxy-2-methylpropane

C5H11FO — CID 89358857

IUPAC1-fluoro-1-methoxy-2-methylpropane
SMILESCOC(F)C(C)C
InChIInChI=1S/C5H11FO/c1-4(2)5(6)7-3/h4-5H,1-3H3
InChIKeyNYYIFIMIWAYRCG-UHFFFAOYSA-N
MW106.14 g/mol
LogP1.58
Rot. Bonds2

About 1-fluoro-1-methoxy-2-methylpropane

1-fluoro-1-methoxy-2-methylpropane (PubChem CID 89358857) has the molecular formula C5H11FO and a molecular weight of 106.14 g/mol. Its IUPAC name is 1-fluoro-1-methoxy-2-methylpropane.

Molecular Properties

Compound Name1-fluoro-1-methoxy-2-methylpropane
PubChem CID89358857
Molecular FormulaC5H11FO
Molecular Weight106.14 g/mol
Exact Mass106.08
IUPAC Name1-fluoro-1-methoxy-2-methylpropane
SMILESCOC(F)C(C)C
InChIInChI=1S/C5H11FO/c1-4(2)5(6)7-3/h4-5H,1-3H3
InChIKeyNYYIFIMIWAYRCG-UHFFFAOYSA-N
XLogP1.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.14
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-1-methoxy-2-methylpropane?
The IUPAC name of 1-fluoro-1-methoxy-2-methylpropane (CID 89358857) is 1-fluoro-1-methoxy-2-methylpropane.
What is the SMILES notation for 1-fluoro-1-methoxy-2-methylpropane?
The canonical SMILES for 1-fluoro-1-methoxy-2-methylpropane is COC(F)C(C)C.
What is the InChIKey of 1-fluoro-1-methoxy-2-methylpropane?
The InChIKey is NYYIFIMIWAYRCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11FO/c1-4(2)5(6)7-3/h4-5H,1-3H3.
What are the key properties of 1-fluoro-1-methoxy-2-methylpropane?
1-fluoro-1-methoxy-2-methylpropane has a molecular weight of 106.14 g/mol, XLogP of 1.58, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-1-methoxy-2-methylpropane is sourced from PubChem (CID 89358857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).