3,3,4,5,5,5-hexafluoro-2,2-dimethylpentan-1-ol

C7H10F6O — CID 22760857

IUPAC3,3,4,5,5,5-hexafluoro-2,2-dimethylpentan-1-ol
SMILESCC(C)(CO)C(F)(F)C(F)C(F)(F)F
InChIInChI=1S/C7H10F6O/c1-5(2,3-14)6(9,10)4(8)7(11,12)13/h4,14H,3H2,1-2H3
InChIKeyUREGSLOZXBFMPS-UHFFFAOYSA-N
MW224.14 g/mol
LogP2.54
Rot. Bonds3

About 3,3,4,5,5,5-hexafluoro-2,2-dimethylpentan-1-ol

3,3,4,5,5,5-hexafluoro-2,2-dimethylpentan-1-ol (PubChem CID 22760857) has the molecular formula C7H10F6O and a molecular weight of 224.14 g/mol. Its IUPAC name is 3,3,4,5,5,5-hexafluoro-2,2-dimethylpentan-1-ol.

Molecular Properties

Compound Name3,3,4,5,5,5-hexafluoro-2,2-dimethylpentan-1-ol
PubChem CID22760857
Molecular FormulaC7H10F6O
Molecular Weight224.14 g/mol
Exact Mass224.06
IUPAC Name3,3,4,5,5,5-hexafluoro-2,2-dimethylpentan-1-ol
SMILESCC(C)(CO)C(F)(F)C(F)C(F)(F)F
InChIInChI=1S/C7H10F6O/c1-5(2,3-14)6(9,10)4(8)7(11,12)13/h4,14H,3H2,1-2H3
InChIKeyUREGSLOZXBFMPS-UHFFFAOYSA-N
XLogP2.54
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.14
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3,4,5,5,5-hexafluoro-2,2-dimethylpentan-1-ol?
The IUPAC name of 3,3,4,5,5,5-hexafluoro-2,2-dimethylpentan-1-ol (CID 22760857) is 3,3,4,5,5,5-hexafluoro-2,2-dimethylpentan-1-ol.
What is the SMILES notation for 3,3,4,5,5,5-hexafluoro-2,2-dimethylpentan-1-ol?
The canonical SMILES for 3,3,4,5,5,5-hexafluoro-2,2-dimethylpentan-1-ol is CC(C)(CO)C(F)(F)C(F)C(F)(F)F.
What is the InChIKey of 3,3,4,5,5,5-hexafluoro-2,2-dimethylpentan-1-ol?
The InChIKey is UREGSLOZXBFMPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F6O/c1-5(2,3-14)6(9,10)4(8)7(11,12)13/h4,14H,3H2,1-2H3.
What are the key properties of 3,3,4,5,5,5-hexafluoro-2,2-dimethylpentan-1-ol?
3,3,4,5,5,5-hexafluoro-2,2-dimethylpentan-1-ol has a molecular weight of 224.14 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,5,5,5-hexafluoro-2,2-dimethylpentan-1-ol is sourced from PubChem (CID 22760857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).