1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-ol

C7H10F6O — CID 58715883

IUPAC1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-ol
SMILESCC(C)(C)C(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H10F6O/c1-4(2,3)5(14,6(8,9)10)7(11,12)13/h14H,1-3H3
InChIKeyNXMIVZIURIOGMF-UHFFFAOYSA-N
MW224.14 g/mol
LogP2.89
Rot. Bonds

About 1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-ol

1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-ol (PubChem CID 58715883) has the molecular formula C7H10F6O and a molecular weight of 224.14 g/mol. Its IUPAC name is 1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-ol
PubChem CID58715883
Molecular FormulaC7H10F6O
Molecular Weight224.14 g/mol
Exact Mass224.06
IUPAC Name1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-ol
SMILESCC(C)(C)C(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H10F6O/c1-4(2,3)5(14,6(8,9)10)7(11,12)13/h14H,1-3H3
InChIKeyNXMIVZIURIOGMF-UHFFFAOYSA-N
XLogP2.89
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
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 1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-ol (CID 58715883) is 1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-ol is CC(C)(C)C(O)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-ol?
The InChIKey is NXMIVZIURIOGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F6O/c1-4(2,3)5(14,6(8,9)10)7(11,12)13/h14H,1-3H3.
What are the key properties of 1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-ol?
1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-ol has a molecular weight of 224.14 g/mol, XLogP of 2.89, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-ol is sourced from PubChem (CID 58715883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).