3-fluoro-2,3-dimethylbutan-2-ol

C6H13FO — CID 22000462

IUPAC3-fluoro-2,3-dimethylbutan-2-ol
SMILESCC(C)(O)C(C)(C)F
InChIInChI=1S/C6H13FO/c1-5(2,7)6(3,4)8/h8H,1-4H3
InChIKeyCFOIQWACFNTMNS-UHFFFAOYSA-N
MW120.17 g/mol
LogP1.51
Rot. Bonds1

About 3-fluoro-2,3-dimethylbutan-2-ol

3-fluoro-2,3-dimethylbutan-2-ol (PubChem CID 22000462) has the molecular formula C6H13FO and a molecular weight of 120.17 g/mol. Its IUPAC name is 3-fluoro-2,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name3-fluoro-2,3-dimethylbutan-2-ol
PubChem CID22000462
Molecular FormulaC6H13FO
Molecular Weight120.17 g/mol
Exact Mass120.10
IUPAC Name3-fluoro-2,3-dimethylbutan-2-ol
SMILESCC(C)(O)C(C)(C)F
InChIInChI=1S/C6H13FO/c1-5(2,7)6(3,4)8/h8H,1-4H3
InChIKeyCFOIQWACFNTMNS-UHFFFAOYSA-N
XLogP1.51
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.17
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2,3-dimethylbutan-2-ol?
The IUPAC name of 3-fluoro-2,3-dimethylbutan-2-ol (CID 22000462) is 3-fluoro-2,3-dimethylbutan-2-ol.
What is the SMILES notation for 3-fluoro-2,3-dimethylbutan-2-ol?
The canonical SMILES for 3-fluoro-2,3-dimethylbutan-2-ol is CC(C)(O)C(C)(C)F.
What is the InChIKey of 3-fluoro-2,3-dimethylbutan-2-ol?
The InChIKey is CFOIQWACFNTMNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13FO/c1-5(2,7)6(3,4)8/h8H,1-4H3.
What are the key properties of 3-fluoro-2,3-dimethylbutan-2-ol?
3-fluoro-2,3-dimethylbutan-2-ol has a molecular weight of 120.17 g/mol, XLogP of 1.51, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2,3-dimethylbutan-2-ol is sourced from PubChem (CID 22000462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).