3-fluoro-2-[(2-methylpropan-2-yl)oxy]propan-1-ol

C7H15FO2 — CID 140910562

IUPAC3-fluoro-2-[(2-methylpropan-2-yl)oxy]propan-1-ol
SMILESCC(C)(C)OC(CO)CF
InChIInChI=1S/C7H15FO2/c1-7(2,3)10-6(4-8)5-9/h6,9H,4-5H2,1-3H3
InChIKeyIDXUVKHFNVNQOX-UHFFFAOYSA-N
MW150.19 g/mol
LogP1.13
Rot. Bonds3

About 3-fluoro-2-[(2-methylpropan-2-yl)oxy]propan-1-ol

3-fluoro-2-[(2-methylpropan-2-yl)oxy]propan-1-ol (PubChem CID 140910562) has the molecular formula C7H15FO2 and a molecular weight of 150.19 g/mol. Its IUPAC name is 3-fluoro-2-[(2-methylpropan-2-yl)oxy]propan-1-ol.

Molecular Properties

Compound Name3-fluoro-2-[(2-methylpropan-2-yl)oxy]propan-1-ol
PubChem CID140910562
Molecular FormulaC7H15FO2
Molecular Weight150.19 g/mol
Exact Mass150.11
IUPAC Name3-fluoro-2-[(2-methylpropan-2-yl)oxy]propan-1-ol
SMILESCC(C)(C)OC(CO)CF
InChIInChI=1S/C7H15FO2/c1-7(2,3)10-6(4-8)5-9/h6,9H,4-5H2,1-3H3
InChIKeyIDXUVKHFNVNQOX-UHFFFAOYSA-N
XLogP1.13
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.19
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-[(2-methylpropan-2-yl)oxy]propan-1-ol?
The IUPAC name of 3-fluoro-2-[(2-methylpropan-2-yl)oxy]propan-1-ol (CID 140910562) is 3-fluoro-2-[(2-methylpropan-2-yl)oxy]propan-1-ol.
What is the SMILES notation for 3-fluoro-2-[(2-methylpropan-2-yl)oxy]propan-1-ol?
The canonical SMILES for 3-fluoro-2-[(2-methylpropan-2-yl)oxy]propan-1-ol is CC(C)(C)OC(CO)CF.
What is the InChIKey of 3-fluoro-2-[(2-methylpropan-2-yl)oxy]propan-1-ol?
The InChIKey is IDXUVKHFNVNQOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15FO2/c1-7(2,3)10-6(4-8)5-9/h6,9H,4-5H2,1-3H3.
What are the key properties of 3-fluoro-2-[(2-methylpropan-2-yl)oxy]propan-1-ol?
3-fluoro-2-[(2-methylpropan-2-yl)oxy]propan-1-ol has a molecular weight of 150.19 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-[(2-methylpropan-2-yl)oxy]propan-1-ol is sourced from PubChem (CID 140910562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).