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

C6H13FO — CID 58623373

IUPAC2-fluoro-3,3-dimethylbutan-2-ol
SMILESCC(C)(C)C(C)(O)F
InChIInChI=1S/C6H13FO/c1-5(2,3)6(4,7)8/h8H,1-4H3
InChIKeyPRYBMOJVIMWHDR-UHFFFAOYSA-N
MW120.17 g/mol
LogP1.71
Rot. Bonds

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

2-fluoro-3,3-dimethylbutan-2-ol (PubChem CID 58623373) has the molecular formula C6H13FO and a molecular weight of 120.17 g/mol. Its IUPAC name is 2-fluoro-3,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name2-fluoro-3,3-dimethylbutan-2-ol
PubChem CID58623373
Molecular FormulaC6H13FO
Molecular Weight120.17 g/mol
Exact Mass120.10
IUPAC Name2-fluoro-3,3-dimethylbutan-2-ol
SMILESCC(C)(C)C(C)(O)F
InChIInChI=1S/C6H13FO/c1-5(2,3)6(4,7)8/h8H,1-4H3
InChIKeyPRYBMOJVIMWHDR-UHFFFAOYSA-N
XLogP1.71
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.17
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-fluoro-3,3-dimethylbutan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3,3-dimethylbutan-2-ol?
The IUPAC name of 2-fluoro-3,3-dimethylbutan-2-ol (CID 58623373) is 2-fluoro-3,3-dimethylbutan-2-ol.
What is the SMILES notation for 2-fluoro-3,3-dimethylbutan-2-ol?
The canonical SMILES for 2-fluoro-3,3-dimethylbutan-2-ol is CC(C)(C)C(C)(O)F.
What is the InChIKey of 2-fluoro-3,3-dimethylbutan-2-ol?
The InChIKey is PRYBMOJVIMWHDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13FO/c1-5(2,3)6(4,7)8/h8H,1-4H3.
What are the key properties of 2-fluoro-3,3-dimethylbutan-2-ol?
2-fluoro-3,3-dimethylbutan-2-ol has a molecular weight of 120.17 g/mol, XLogP of 1.71, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3,3-dimethylbutan-2-ol is sourced from PubChem (CID 58623373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).