1-fluoro-3-methoxy-2-methylpropan-2-ol

C5H11FO2 — CID 174695073

IUPAC1-fluoro-3-methoxy-2-methylpropan-2-ol
SMILESCOCC(C)(O)CF
InChIInChI=1S/C5H11FO2/c1-5(7,3-6)4-8-2/h7H,3-4H2,1-2H3
InChIKeyJPOHFCYKUIBQBF-UHFFFAOYSA-N
MW122.14 g/mol
LogP0.35
Rot. Bonds3

About 1-fluoro-3-methoxy-2-methylpropan-2-ol

1-fluoro-3-methoxy-2-methylpropan-2-ol (PubChem CID 174695073) has the molecular formula C5H11FO2 and a molecular weight of 122.14 g/mol. Its IUPAC name is 1-fluoro-3-methoxy-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-fluoro-3-methoxy-2-methylpropan-2-ol
PubChem CID174695073
Molecular FormulaC5H11FO2
Molecular Weight122.14 g/mol
Exact Mass122.07
IUPAC Name1-fluoro-3-methoxy-2-methylpropan-2-ol
SMILESCOCC(C)(O)CF
InChIInChI=1S/C5H11FO2/c1-5(7,3-6)4-8-2/h7H,3-4H2,1-2H3
InChIKeyJPOHFCYKUIBQBF-UHFFFAOYSA-N
XLogP0.35
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.14
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-methoxy-2-methylpropan-2-ol?
The IUPAC name of 1-fluoro-3-methoxy-2-methylpropan-2-ol (CID 174695073) is 1-fluoro-3-methoxy-2-methylpropan-2-ol.
What is the SMILES notation for 1-fluoro-3-methoxy-2-methylpropan-2-ol?
The canonical SMILES for 1-fluoro-3-methoxy-2-methylpropan-2-ol is COCC(C)(O)CF.
What is the InChIKey of 1-fluoro-3-methoxy-2-methylpropan-2-ol?
The InChIKey is JPOHFCYKUIBQBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11FO2/c1-5(7,3-6)4-8-2/h7H,3-4H2,1-2H3.
What are the key properties of 1-fluoro-3-methoxy-2-methylpropan-2-ol?
1-fluoro-3-methoxy-2-methylpropan-2-ol has a molecular weight of 122.14 g/mol, XLogP of 0.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-methoxy-2-methylpropan-2-ol is sourced from PubChem (CID 174695073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).