2-ethyl-2-(trifluoromethyl)butan-1-ol

C7H13F3O — CID 122163203

IUPAC2-ethyl-2-(trifluoromethyl)butan-1-ol
SMILESCCC(CC)(CO)C(F)(F)F
InChIInChI=1S/C7H13F3O/c1-3-6(4-2,5-11)7(8,9)10/h11H,3-5H2,1-2H3
InChIKeyGFYKMMXMUVFSDE-UHFFFAOYSA-N
MW170.17 g/mol
LogP2.35
Rot. Bonds3

About 2-ethyl-2-(trifluoromethyl)butan-1-ol

2-ethyl-2-(trifluoromethyl)butan-1-ol (PubChem CID 122163203) has the molecular formula C7H13F3O and a molecular weight of 170.17 g/mol. Its IUPAC name is 2-ethyl-2-(trifluoromethyl)butan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-(trifluoromethyl)butan-1-ol
PubChem CID122163203
Molecular FormulaC7H13F3O
Molecular Weight170.17 g/mol
Exact Mass170.09
IUPAC Name2-ethyl-2-(trifluoromethyl)butan-1-ol
SMILESCCC(CC)(CO)C(F)(F)F
InChIInChI=1S/C7H13F3O/c1-3-6(4-2,5-11)7(8,9)10/h11H,3-5H2,1-2H3
InChIKeyGFYKMMXMUVFSDE-UHFFFAOYSA-N
XLogP2.35
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(trifluoromethyl)butan-1-ol?
The IUPAC name of 2-ethyl-2-(trifluoromethyl)butan-1-ol (CID 122163203) is 2-ethyl-2-(trifluoromethyl)butan-1-ol.
What is the SMILES notation for 2-ethyl-2-(trifluoromethyl)butan-1-ol?
The canonical SMILES for 2-ethyl-2-(trifluoromethyl)butan-1-ol is CCC(CC)(CO)C(F)(F)F.
What is the InChIKey of 2-ethyl-2-(trifluoromethyl)butan-1-ol?
The InChIKey is GFYKMMXMUVFSDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3O/c1-3-6(4-2,5-11)7(8,9)10/h11H,3-5H2,1-2H3.
What are the key properties of 2-ethyl-2-(trifluoromethyl)butan-1-ol?
2-ethyl-2-(trifluoromethyl)butan-1-ol has a molecular weight of 170.17 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(trifluoromethyl)butan-1-ol is sourced from PubChem (CID 122163203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).