1-(3-phenylphenyl)-1-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)ethanol

C20H13F11O — CID 162347175

IUPAC1-(3-phenylphenyl)-1-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)ethanol
SMILESCC(O)(c1cccc(-c2ccccc2)c1)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C20H13F11O/c1-14(32,13-9-5-8-12(10-13)11-6-3-2-4-7-11)15(21)16(22,23)18(26,27)20(30,31)19(28,29)17(15,24)25/h2-10,32H,1H3
InChIKeyODCKJSSQJOPHIF-UHFFFAOYSA-N
MW478.30 g/mol
LogP6.46
Rot. Bonds3

About 1-(3-phenylphenyl)-1-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)ethanol

1-(3-phenylphenyl)-1-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)ethanol (PubChem CID 162347175) has the molecular formula C20H13F11O and a molecular weight of 478.30 g/mol. Its IUPAC name is 1-(3-phenylphenyl)-1-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)ethanol.

Molecular Properties

Compound Name1-(3-phenylphenyl)-1-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)ethanol
PubChem CID162347175
Molecular FormulaC20H13F11O
Molecular Weight478.30 g/mol
Exact Mass478.08
IUPAC Name1-(3-phenylphenyl)-1-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)ethanol
SMILESCC(O)(c1cccc(-c2ccccc2)c1)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C20H13F11O/c1-14(32,13-9-5-8-12(10-13)11-6-3-2-4-7-11)15(21)16(22,23)18(26,27)20(30,31)19(28,29)17(15,24)25/h2-10,32H,1H3
InChIKeyODCKJSSQJOPHIF-UHFFFAOYSA-N
XLogP6.46
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.30
LogP ≤ 56.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-phenylphenyl)-1-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)ethanol?
The IUPAC name of 1-(3-phenylphenyl)-1-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)ethanol (CID 162347175) is 1-(3-phenylphenyl)-1-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)ethanol.
What is the SMILES notation for 1-(3-phenylphenyl)-1-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)ethanol?
The canonical SMILES for 1-(3-phenylphenyl)-1-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)ethanol is CC(O)(c1cccc(-c2ccccc2)c1)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 1-(3-phenylphenyl)-1-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)ethanol?
The InChIKey is ODCKJSSQJOPHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F11O/c1-14(32,13-9-5-8-12(10-13)11-6-3-2-4-7-11)15(21)16(22,23)18(26,27)20(30,31)19(28,29)17(15,24)25/h2-10,32H,1H3.
What are the key properties of 1-(3-phenylphenyl)-1-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)ethanol?
1-(3-phenylphenyl)-1-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)ethanol has a molecular weight of 478.30 g/mol, XLogP of 6.46, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenylphenyl)-1-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)ethanol is sourced from PubChem (CID 162347175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).