4-(2,2,3,3,4,4,5,5-octafluoropentyl)phenol

C11H8F8O — CID 71335860

IUPAC4-(2,2,3,3,4,4,5,5-octafluoropentyl)phenol
SMILESOc1ccc(CC(F)(F)C(F)(F)C(F)(F)C(F)F)cc1
InChIInChI=1S/C11H8F8O/c12-8(13)10(16,17)11(18,19)9(14,15)5-6-1-3-7(20)4-2-6/h1-4,8,20H,5H2
InChIKeyKZKQWODQMBXZOD-UHFFFAOYSA-N
MW308.17 g/mol
LogP4.11
Rot. Bonds5

About 4-(2,2,3,3,4,4,5,5-octafluoropentyl)phenol

4-(2,2,3,3,4,4,5,5-octafluoropentyl)phenol (PubChem CID 71335860) has the molecular formula C11H8F8O and a molecular weight of 308.17 g/mol. Its IUPAC name is 4-(2,2,3,3,4,4,5,5-octafluoropentyl)phenol.

Molecular Properties

Compound Name4-(2,2,3,3,4,4,5,5-octafluoropentyl)phenol
PubChem CID71335860
Molecular FormulaC11H8F8O
Molecular Weight308.17 g/mol
Exact Mass308.04
IUPAC Name4-(2,2,3,3,4,4,5,5-octafluoropentyl)phenol
SMILESOc1ccc(CC(F)(F)C(F)(F)C(F)(F)C(F)F)cc1
InChIInChI=1S/C11H8F8O/c12-8(13)10(16,17)11(18,19)9(14,15)5-6-1-3-7(20)4-2-6/h1-4,8,20H,5H2
InChIKeyKZKQWODQMBXZOD-UHFFFAOYSA-N
XLogP4.11
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.17
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

4-[2,2-difluoro-3-(methylamino)propyl]phenol
CID 105453352
1-(4-hydroxyphenyl)propane-2,2-diol
CID 71429856
4-[2-(4-hydroxyphenyl)-2,2-diiodoethyl]phenol
CID 70440084
4-(iodomethyl)phenol
CID 11241787
tetrakis(2,2,3,3,4,4,5,5-octafluoropentyl)boranuide
CID 22465087
4-[3-(aminomethyl)-4,4-difluoro-3-methylbutyl]phenol
CID 84726135
4-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)benzenesulfonic acid
CID 87155098
4-[2-(aminomethyl)-3,3,3-trifluoropropyl]phenol
CID 115031161
benzene-1,4-diol;bis(2,2,3,3,4,4,4-heptafluorobutane-1-sulfonic acid)
CID 87329471
1-methoxy-4-(2,2,3,3-tetrafluoropropyl)benzene
CID 132937165
4-(2,2,3,3,4,4,4-heptafluorobutyl)-N-methylaniline
CID 154294288
4-[(4-hydroxyphenyl)methyl]phenol
CID 12111

Frequently Asked Questions

What is the IUPAC name of 4-(2,2,3,3,4,4,5,5-octafluoropentyl)phenol?
The IUPAC name of 4-(2,2,3,3,4,4,5,5-octafluoropentyl)phenol (CID 71335860) is 4-(2,2,3,3,4,4,5,5-octafluoropentyl)phenol.
What is the SMILES notation for 4-(2,2,3,3,4,4,5,5-octafluoropentyl)phenol?
The canonical SMILES for 4-(2,2,3,3,4,4,5,5-octafluoropentyl)phenol is Oc1ccc(CC(F)(F)C(F)(F)C(F)(F)C(F)F)cc1.
What is the InChIKey of 4-(2,2,3,3,4,4,5,5-octafluoropentyl)phenol?
The InChIKey is KZKQWODQMBXZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F8O/c12-8(13)10(16,17)11(18,19)9(14,15)5-6-1-3-7(20)4-2-6/h1-4,8,20H,5H2.
What are the key properties of 4-(2,2,3,3,4,4,5,5-octafluoropentyl)phenol?
4-(2,2,3,3,4,4,5,5-octafluoropentyl)phenol has a molecular weight of 308.17 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,3,3,4,4,5,5-octafluoropentyl)phenol is sourced from PubChem (CID 71335860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).