1-fluoro-2-methylpropan-2-ol

C4H9FO — CID 10964414

IUPAC1-fluoro-2-methylpropan-2-ol
SMILESCC(C)(O)CF
InChIInChI=1S/C4H9FO/c1-4(2,6)3-5/h6H,3H2,1-2H3
InChIKeyGVEMIUUOJFZCOD-UHFFFAOYSA-N
MW92.11 g/mol
LogP0.73
Rot. Bonds1

About 1-fluoro-2-methylpropan-2-ol

1-fluoro-2-methylpropan-2-ol (PubChem CID 10964414) has the molecular formula C4H9FO and a molecular weight of 92.11 g/mol. Its IUPAC name is 1-fluoro-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-fluoro-2-methylpropan-2-ol
PubChem CID10964414
Molecular FormulaC4H9FO
Molecular Weight92.11 g/mol
Exact Mass92.06
IUPAC Name1-fluoro-2-methylpropan-2-ol
SMILESCC(C)(O)CF
InChIInChI=1S/C4H9FO/c1-4(2,6)3-5/h6H,3H2,1-2H3
InChIKeyGVEMIUUOJFZCOD-UHFFFAOYSA-N
XLogP0.73
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50092.11
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-methylpropan-2-ol?
The IUPAC name of 1-fluoro-2-methylpropan-2-ol (CID 10964414) is 1-fluoro-2-methylpropan-2-ol.
What is the SMILES notation for 1-fluoro-2-methylpropan-2-ol?
The canonical SMILES for 1-fluoro-2-methylpropan-2-ol is CC(C)(O)CF.
What is the InChIKey of 1-fluoro-2-methylpropan-2-ol?
The InChIKey is GVEMIUUOJFZCOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9FO/c1-4(2,6)3-5/h6H,3H2,1-2H3.
What are the key properties of 1-fluoro-2-methylpropan-2-ol?
1-fluoro-2-methylpropan-2-ol has a molecular weight of 92.11 g/mol, XLogP of 0.73, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-methylpropan-2-ol is sourced from PubChem (CID 10964414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).