4-(1,1,2,2,3,3-hexafluoropent-4-enyl)phenol

C11H8F6O — CID 22765164

IUPAC4-(1,1,2,2,3,3-hexafluoropent-4-enyl)phenol
SMILESC=CC(F)(F)C(F)(F)C(F)(F)c1ccc(O)cc1
InChIInChI=1S/C11H8F6O/c1-2-9(12,13)11(16,17)10(14,15)7-3-5-8(18)6-4-7/h2-6,18H,1H2
InChIKeyIKNCCMUEMRSRJC-UHFFFAOYSA-N
MW270.17 g/mol
LogP3.94
Rot. Bonds4

About 4-(1,1,2,2,3,3-hexafluoropent-4-enyl)phenol

4-(1,1,2,2,3,3-hexafluoropent-4-enyl)phenol (PubChem CID 22765164) has the molecular formula C11H8F6O and a molecular weight of 270.17 g/mol. Its IUPAC name is 4-(1,1,2,2,3,3-hexafluoropent-4-enyl)phenol.

Molecular Properties

Compound Name4-(1,1,2,2,3,3-hexafluoropent-4-enyl)phenol
PubChem CID22765164
Molecular FormulaC11H8F6O
Molecular Weight270.17 g/mol
Exact Mass270.05
IUPAC Name4-(1,1,2,2,3,3-hexafluoropent-4-enyl)phenol
SMILESC=CC(F)(F)C(F)(F)C(F)(F)c1ccc(O)cc1
InChIInChI=1S/C11H8F6O/c1-2-9(12,13)11(16,17)10(14,15)7-3-5-8(18)6-4-7/h2-6,18H,1H2
InChIKeyIKNCCMUEMRSRJC-UHFFFAOYSA-N
XLogP3.94
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 11369659
4-[1-(4-hydroxyphenyl)-1-phosphanylprop-2-enyl]phenol
CID 68574518
4-(trifluoromethyl)(18F)phenol
CID 71660610
4-(2-amino-1,1-difluoro-2-methylpropyl)phenol
CID 105453346
4-[1,1,1,2,2,4,4,5,5,5-decafluoro-3-(4-hydroxyphenyl)pentan-3-yl]phenol
CID 154343948
4-(trichloromethyl)phenol
CID 21200855
1-(4-hydroxyphenyl)ethane-1,1-diol
CID 137436479
4-[difluoro(phenyl)methyl]phenol
CID 83855777
bis(prop-2-enoic acid);4-[1,1,1,3-tetrafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol
CID 159729968
(4-hydroxyphenyl)methanetriol
CID 57197766
1-ethenyl-4-(1,1,2,2,2-pentafluoroethyl)benzene
CID 18928984
4-[1-chloro-1,1,3,3,3-pentafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol
CID 19850971

Frequently Asked Questions

What is the IUPAC name of 4-(1,1,2,2,3,3-hexafluoropent-4-enyl)phenol?
The IUPAC name of 4-(1,1,2,2,3,3-hexafluoropent-4-enyl)phenol (CID 22765164) is 4-(1,1,2,2,3,3-hexafluoropent-4-enyl)phenol.
What is the SMILES notation for 4-(1,1,2,2,3,3-hexafluoropent-4-enyl)phenol?
The canonical SMILES for 4-(1,1,2,2,3,3-hexafluoropent-4-enyl)phenol is C=CC(F)(F)C(F)(F)C(F)(F)c1ccc(O)cc1.
What is the InChIKey of 4-(1,1,2,2,3,3-hexafluoropent-4-enyl)phenol?
The InChIKey is IKNCCMUEMRSRJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F6O/c1-2-9(12,13)11(16,17)10(14,15)7-3-5-8(18)6-4-7/h2-6,18H,1H2.
What are the key properties of 4-(1,1,2,2,3,3-hexafluoropent-4-enyl)phenol?
4-(1,1,2,2,3,3-hexafluoropent-4-enyl)phenol has a molecular weight of 270.17 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1,2,2,3,3-hexafluoropent-4-enyl)phenol is sourced from PubChem (CID 22765164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).