4,4,4-trifluoro-2,3-dimethyl-3-(trifluoromethyl)butan-2-ol

C7H10F6O — CID 58939313

IUPAC4,4,4-trifluoro-2,3-dimethyl-3-(trifluoromethyl)butan-2-ol
SMILESCC(C)(O)C(C)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H10F6O/c1-4(2,14)5(3,6(8,9)10)7(11,12)13/h14H,1-3H3
InChIKeyUMOBIVMQYLOTAE-UHFFFAOYSA-N
MW224.14 g/mol
LogP2.89
Rot. Bonds1

About 4,4,4-trifluoro-2,3-dimethyl-3-(trifluoromethyl)butan-2-ol

4,4,4-trifluoro-2,3-dimethyl-3-(trifluoromethyl)butan-2-ol (PubChem CID 58939313) has the molecular formula C7H10F6O and a molecular weight of 224.14 g/mol. Its IUPAC name is 4,4,4-trifluoro-2,3-dimethyl-3-(trifluoromethyl)butan-2-ol.

Molecular Properties

Compound Name4,4,4-trifluoro-2,3-dimethyl-3-(trifluoromethyl)butan-2-ol
PubChem CID58939313
Molecular FormulaC7H10F6O
Molecular Weight224.14 g/mol
Exact Mass224.06
IUPAC Name4,4,4-trifluoro-2,3-dimethyl-3-(trifluoromethyl)butan-2-ol
SMILESCC(C)(O)C(C)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H10F6O/c1-4(2,14)5(3,6(8,9)10)7(11,12)13/h14H,1-3H3
InChIKeyUMOBIVMQYLOTAE-UHFFFAOYSA-N
XLogP2.89
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.14
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-2,3-dimethyl-3-(trifluoromethyl)butan-2-ol?
The IUPAC name of 4,4,4-trifluoro-2,3-dimethyl-3-(trifluoromethyl)butan-2-ol (CID 58939313) is 4,4,4-trifluoro-2,3-dimethyl-3-(trifluoromethyl)butan-2-ol.
What is the SMILES notation for 4,4,4-trifluoro-2,3-dimethyl-3-(trifluoromethyl)butan-2-ol?
The canonical SMILES for 4,4,4-trifluoro-2,3-dimethyl-3-(trifluoromethyl)butan-2-ol is CC(C)(O)C(C)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-2,3-dimethyl-3-(trifluoromethyl)butan-2-ol?
The InChIKey is UMOBIVMQYLOTAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F6O/c1-4(2,14)5(3,6(8,9)10)7(11,12)13/h14H,1-3H3.
What are the key properties of 4,4,4-trifluoro-2,3-dimethyl-3-(trifluoromethyl)butan-2-ol?
4,4,4-trifluoro-2,3-dimethyl-3-(trifluoromethyl)butan-2-ol has a molecular weight of 224.14 g/mol, XLogP of 2.89, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-2,3-dimethyl-3-(trifluoromethyl)butan-2-ol is sourced from PubChem (CID 58939313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).