4-(2,2,3,4,4,4-hexafluorobutoxy)phenol

C10H8F6O2 — CID 112758210

IUPAC4-(2,2,3,4,4,4-hexafluorobutoxy)phenol
SMILESOc1ccc(OCC(F)(F)C(F)C(F)(F)F)cc1
InChIInChI=1S/C10H8F6O2/c11-8(10(14,15)16)9(12,13)5-18-7-3-1-6(17)2-4-7/h1-4,8,17H,5H2
InChIKeyUSJBGOCGGPQMOZ-UHFFFAOYSA-N
MW274.16 g/mol
LogP3.31
Rot. Bonds4

About 4-(2,2,3,4,4,4-hexafluorobutoxy)phenol

4-(2,2,3,4,4,4-hexafluorobutoxy)phenol (PubChem CID 112758210) has the molecular formula C10H8F6O2 and a molecular weight of 274.16 g/mol. Its IUPAC name is 4-(2,2,3,4,4,4-hexafluorobutoxy)phenol.

Molecular Properties

Compound Name4-(2,2,3,4,4,4-hexafluorobutoxy)phenol
PubChem CID112758210
Molecular FormulaC10H8F6O2
Molecular Weight274.16 g/mol
Exact Mass274.04
IUPAC Name4-(2,2,3,4,4,4-hexafluorobutoxy)phenol
SMILESOc1ccc(OCC(F)(F)C(F)C(F)(F)F)cc1
InChIInChI=1S/C10H8F6O2/c11-8(10(14,15)16)9(12,13)5-18-7-3-1-6(17)2-4-7/h1-4,8,17H,5H2
InChIKeyUSJBGOCGGPQMOZ-UHFFFAOYSA-N
XLogP3.31
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.16
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2,3,4,4,4-hexafluorobutoxy)phenol?
The IUPAC name of 4-(2,2,3,4,4,4-hexafluorobutoxy)phenol (CID 112758210) is 4-(2,2,3,4,4,4-hexafluorobutoxy)phenol.
What is the SMILES notation for 4-(2,2,3,4,4,4-hexafluorobutoxy)phenol?
The canonical SMILES for 4-(2,2,3,4,4,4-hexafluorobutoxy)phenol is Oc1ccc(OCC(F)(F)C(F)C(F)(F)F)cc1.
What is the InChIKey of 4-(2,2,3,4,4,4-hexafluorobutoxy)phenol?
The InChIKey is USJBGOCGGPQMOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F6O2/c11-8(10(14,15)16)9(12,13)5-18-7-3-1-6(17)2-4-7/h1-4,8,17H,5H2.
What are the key properties of 4-(2,2,3,4,4,4-hexafluorobutoxy)phenol?
4-(2,2,3,4,4,4-hexafluorobutoxy)phenol has a molecular weight of 274.16 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,3,4,4,4-hexafluorobutoxy)phenol is sourced from PubChem (CID 112758210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).