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

C6H13FO — CID 22000528

IUPAC1-fluoro-2,3-dimethylbutan-2-ol
SMILESCC(C)C(C)(O)CF
InChIInChI=1S/C6H13FO/c1-5(2)6(3,8)4-7/h5,8H,4H2,1-3H3
InChIKeyGJUCEPWSOMEEKT-UHFFFAOYSA-N
MW120.17 g/mol
LogP1.36
Rot. Bonds2

About 1-fluoro-2,3-dimethylbutan-2-ol

1-fluoro-2,3-dimethylbutan-2-ol (PubChem CID 22000528) has the molecular formula C6H13FO and a molecular weight of 120.17 g/mol. Its IUPAC name is 1-fluoro-2,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name1-fluoro-2,3-dimethylbutan-2-ol
PubChem CID22000528
Molecular FormulaC6H13FO
Molecular Weight120.17 g/mol
Exact Mass120.10
IUPAC Name1-fluoro-2,3-dimethylbutan-2-ol
SMILESCC(C)C(C)(O)CF
InChIInChI=1S/C6H13FO/c1-5(2)6(3,8)4-7/h5,8H,4H2,1-3H3
InChIKeyGJUCEPWSOMEEKT-UHFFFAOYSA-N
XLogP1.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.17
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,3-Dimethyl-2-butanol
CID 11670
4-Fluoro-2-methylbutan-2-ol
CID 84647630
Bi(DMBX)3
CID 178887244
3-Fluoro-2,3-dimethylbutan-2-ol
CID 22000462
3-Fluoro-2-methylbutan-2-ol
CID 22000493
1,1,1-Trifluoro-3-methyl-2-(trifluoromethyl)butan-2-ol
CID 23532170
4,4,4-Trifluoro-2-methyl-3-(trifluoromethyl)butan-2-ol
CID 53845479
1-Fluoro-2-(fluoromethyl)-3-methylbutan-2-ol
CID 54499529
(2R)-1,1,1-trifluoro-2,3-dimethylbutan-2-ol
CID 57642873
(2S)-1,1,1-trifluoro-2,3-dimethylbutan-2-ol
CID 57642890
4-Fluoro-2,3-dimethylbutan-2-ol
CID 58413267
1,1,1-Trifluoro-2,3-dimethylbutan-2-ol
CID 59815722

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2,3-dimethylbutan-2-ol?
The IUPAC name of 1-fluoro-2,3-dimethylbutan-2-ol (CID 22000528) is 1-fluoro-2,3-dimethylbutan-2-ol.
What is the SMILES notation for 1-fluoro-2,3-dimethylbutan-2-ol?
The canonical SMILES for 1-fluoro-2,3-dimethylbutan-2-ol is CC(C)C(C)(O)CF.
What is the InChIKey of 1-fluoro-2,3-dimethylbutan-2-ol?
The InChIKey is GJUCEPWSOMEEKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13FO/c1-5(2)6(3,8)4-7/h5,8H,4H2,1-3H3.
What are the key properties of 1-fluoro-2,3-dimethylbutan-2-ol?
1-fluoro-2,3-dimethylbutan-2-ol has a molecular weight of 120.17 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2,3-dimethylbutan-2-ol is sourced from PubChem (CID 22000528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).