3-fluoro-2-methylbutan-2-ol

C5H11FO — CID 22000493

IUPAC3-fluoro-2-methylbutan-2-ol
SMILESCC(F)C(C)(C)O
InChIInChI=1S/C5H11FO/c1-4(6)5(2,3)7/h4,7H,1-3H3
InChIKeyKVBBMCNRIZHRMS-UHFFFAOYSA-N
MW106.14 g/mol
LogP1.12
Rot. Bonds1

About 3-fluoro-2-methylbutan-2-ol

3-fluoro-2-methylbutan-2-ol (PubChem CID 22000493) has the molecular formula C5H11FO and a molecular weight of 106.14 g/mol. Its IUPAC name is 3-fluoro-2-methylbutan-2-ol.

Molecular Properties

Compound Name3-fluoro-2-methylbutan-2-ol
PubChem CID22000493
Molecular FormulaC5H11FO
Molecular Weight106.14 g/mol
Exact Mass106.08
IUPAC Name3-fluoro-2-methylbutan-2-ol
SMILESCC(F)C(C)(C)O
InChIInChI=1S/C5H11FO/c1-4(6)5(2,3)7/h4,7H,1-3H3
InChIKeyKVBBMCNRIZHRMS-UHFFFAOYSA-N
XLogP1.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.14
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-methylbutan-2-ol?
The IUPAC name of 3-fluoro-2-methylbutan-2-ol (CID 22000493) is 3-fluoro-2-methylbutan-2-ol.
What is the SMILES notation for 3-fluoro-2-methylbutan-2-ol?
The canonical SMILES for 3-fluoro-2-methylbutan-2-ol is CC(F)C(C)(C)O.
What is the InChIKey of 3-fluoro-2-methylbutan-2-ol?
The InChIKey is KVBBMCNRIZHRMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11FO/c1-4(6)5(2,3)7/h4,7H,1-3H3.
What are the key properties of 3-fluoro-2-methylbutan-2-ol?
3-fluoro-2-methylbutan-2-ol has a molecular weight of 106.14 g/mol, XLogP of 1.12, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-methylbutan-2-ol is sourced from PubChem (CID 22000493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).