2,3,4,4,4-pentafluoro-2-(trifluoromethyl)butan-1-ol

C5H4F8O — CID 44720366

IUPAC2,3,4,4,4-pentafluoro-2-(trifluoromethyl)butan-1-ol
SMILESOCC(F)(C(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H4F8O/c6-2(4(8,9)10)3(7,1-14)5(11,12)13/h2,14H,1H2
InChIKeyCADWEFWBAQYRAB-UHFFFAOYSA-N
MW232.07 g/mol
LogP2.15
Rot. Bonds2

About 2,3,4,4,4-pentafluoro-2-(trifluoromethyl)butan-1-ol

2,3,4,4,4-pentafluoro-2-(trifluoromethyl)butan-1-ol (PubChem CID 44720366) has the molecular formula C5H4F8O and a molecular weight of 232.07 g/mol. Its IUPAC name is 2,3,4,4,4-pentafluoro-2-(trifluoromethyl)butan-1-ol.

Molecular Properties

Compound Name2,3,4,4,4-pentafluoro-2-(trifluoromethyl)butan-1-ol
PubChem CID44720366
Molecular FormulaC5H4F8O
Molecular Weight232.07 g/mol
Exact Mass232.01
IUPAC Name2,3,4,4,4-pentafluoro-2-(trifluoromethyl)butan-1-ol
SMILESOCC(F)(C(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H4F8O/c6-2(4(8,9)10)3(7,1-14)5(11,12)13/h2,14H,1H2
InChIKeyCADWEFWBAQYRAB-UHFFFAOYSA-N
XLogP2.15
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.07
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,4,4-pentafluoro-2-(trifluoromethyl)butan-1-ol?
The IUPAC name of 2,3,4,4,4-pentafluoro-2-(trifluoromethyl)butan-1-ol (CID 44720366) is 2,3,4,4,4-pentafluoro-2-(trifluoromethyl)butan-1-ol.
What is the SMILES notation for 2,3,4,4,4-pentafluoro-2-(trifluoromethyl)butan-1-ol?
The canonical SMILES for 2,3,4,4,4-pentafluoro-2-(trifluoromethyl)butan-1-ol is OCC(F)(C(F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2,3,4,4,4-pentafluoro-2-(trifluoromethyl)butan-1-ol?
The InChIKey is CADWEFWBAQYRAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F8O/c6-2(4(8,9)10)3(7,1-14)5(11,12)13/h2,14H,1H2.
What are the key properties of 2,3,4,4,4-pentafluoro-2-(trifluoromethyl)butan-1-ol?
2,3,4,4,4-pentafluoro-2-(trifluoromethyl)butan-1-ol has a molecular weight of 232.07 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,4,4-pentafluoro-2-(trifluoromethyl)butan-1-ol is sourced from PubChem (CID 44720366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).