3,4,4,4-tetrafluoro-2,3-dimethylbutan-2-ol

C6H10F4O — CID 88557567

IUPAC3,4,4,4-tetrafluoro-2,3-dimethylbutan-2-ol
SMILESCC(C)(O)C(C)(F)C(F)(F)F
InChIInChI=1S/C6H10F4O/c1-4(2,11)5(3,7)6(8,9)10/h11H,1-3H3
InChIKeyDOQVEHWOUDRCNX-UHFFFAOYSA-N
MW174.14 g/mol
LogP2.05
Rot. Bonds1

About 3,4,4,4-tetrafluoro-2,3-dimethylbutan-2-ol

3,4,4,4-tetrafluoro-2,3-dimethylbutan-2-ol (PubChem CID 88557567) has the molecular formula C6H10F4O and a molecular weight of 174.14 g/mol. Its IUPAC name is 3,4,4,4-tetrafluoro-2,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name3,4,4,4-tetrafluoro-2,3-dimethylbutan-2-ol
PubChem CID88557567
Molecular FormulaC6H10F4O
Molecular Weight174.14 g/mol
Exact Mass174.07
IUPAC Name3,4,4,4-tetrafluoro-2,3-dimethylbutan-2-ol
SMILESCC(C)(O)C(C)(F)C(F)(F)F
InChIInChI=1S/C6H10F4O/c1-4(2,11)5(3,7)6(8,9)10/h11H,1-3H3
InChIKeyDOQVEHWOUDRCNX-UHFFFAOYSA-N
XLogP2.05
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.14
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4,4,4-tetrafluoro-2,3-dimethylbutan-2-ol?
The IUPAC name of 3,4,4,4-tetrafluoro-2,3-dimethylbutan-2-ol (CID 88557567) is 3,4,4,4-tetrafluoro-2,3-dimethylbutan-2-ol.
What is the SMILES notation for 3,4,4,4-tetrafluoro-2,3-dimethylbutan-2-ol?
The canonical SMILES for 3,4,4,4-tetrafluoro-2,3-dimethylbutan-2-ol is CC(C)(O)C(C)(F)C(F)(F)F.
What is the InChIKey of 3,4,4,4-tetrafluoro-2,3-dimethylbutan-2-ol?
The InChIKey is DOQVEHWOUDRCNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F4O/c1-4(2,11)5(3,7)6(8,9)10/h11H,1-3H3.
What are the key properties of 3,4,4,4-tetrafluoro-2,3-dimethylbutan-2-ol?
3,4,4,4-tetrafluoro-2,3-dimethylbutan-2-ol has a molecular weight of 174.14 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,4,4-tetrafluoro-2,3-dimethylbutan-2-ol is sourced from PubChem (CID 88557567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).