5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-3-(3-methoxyphenyl)-2-phenyldecan-3-ol

C23H19F13O2 — CID 162347326

IUPAC5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-3-(3-methoxyphenyl)-2-phenyldecan-3-ol
SMILESCOc1cccc(C(O)(CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(C)c2ccccc2)c1
InChIInChI=1S/C23H19F13O2/c1-13(14-7-4-3-5-8-14)17(37,15-9-6-10-16(11-15)38-2)12-18(24,25)19(26,27)20(28,29)21(30,31)22(32,33)23(34,35)36/h3-11,13,37H,12H2,1-2H3
InChIKeyUCOFCAQGENMFOL-UHFFFAOYSA-N
MW574.38 g/mol
LogP7.82
Rot. Bonds10

About 5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-3-(3-methoxyphenyl)-2-phenyldecan-3-ol

5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-3-(3-methoxyphenyl)-2-phenyldecan-3-ol (PubChem CID 162347326) has the molecular formula C23H19F13O2 and a molecular weight of 574.38 g/mol. Its IUPAC name is 5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-3-(3-methoxyphenyl)-2-phenyldecan-3-ol.

Molecular Properties

Compound Name5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-3-(3-methoxyphenyl)-2-phenyldecan-3-ol
PubChem CID162347326
Molecular FormulaC23H19F13O2
Molecular Weight574.38 g/mol
Exact Mass574.12
IUPAC Name5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-3-(3-methoxyphenyl)-2-phenyldecan-3-ol
SMILESCOc1cccc(C(O)(CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(C)c2ccccc2)c1
InChIInChI=1S/C23H19F13O2/c1-13(14-7-4-3-5-8-14)17(37,15-9-6-10-16(11-15)38-2)12-18(24,25)19(26,27)20(28,29)21(30,31)22(32,33)23(34,35)36/h3-11,13,37H,12H2,1-2H3
InChIKeyUCOFCAQGENMFOL-UHFFFAOYSA-N
XLogP7.82
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.38
LogP ≤ 57.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-3-(3-methoxyphenyl)-2-phenyldecan-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-chlorophenyl)-5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-2-phenyldecan-3-ol
CID 162347592
3,3,4,4,5,5,6,6,7,7,7-undecafluoro-1-(3-methoxyphenyl)heptan-1-ol
CID 156764306
1,1,1,4,4,5,5,6,6,7,7,8,8,9,9,9-hexadecafluoro-2-(3-propan-2-ylphenyl)nonan-2-ol
CID 162347393
2-(3-butan-2-yloxyphenyl)-4,4,5,5,6,6,7,7,8,8,8-undecafluorooctan-2-ol
CID 156765720
3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-1-phenyl-1-(4-propan-2-yloxyphenyl)octan-1-ol
CID 162347980
(2S)-1,1,1-trifluoro-2-(3-methoxyphenyl)propan-2-ol
CID 166750619
1-(4-butan-2-yloxyphenyl)-3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-1-phenyloctan-1-ol
CID 162348337
1-(2-methylpropoxy)-3-(4,4,5,5,6,6,7,7,7-nonafluoro-2-methoxyheptan-2-yl)benzene
CID 156763335
1-fluoro-1-(3-methoxyphenyl)ethanol
CID 174577353
(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-2-methoxynonan-2-yl)benzene
CID 156765058
2,2,3,3,3-pentafluoro-1-(3-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]propan-1-ol
CID 162511487
3-(3-methoxyphenyl)-2-methylpentan-3-ol;N-methylmethanamine
CID 68829384

Frequently Asked Questions

What is the IUPAC name of 5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-3-(3-methoxyphenyl)-2-phenyldecan-3-ol?
The IUPAC name of 5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-3-(3-methoxyphenyl)-2-phenyldecan-3-ol (CID 162347326) is 5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-3-(3-methoxyphenyl)-2-phenyldecan-3-ol.
What is the SMILES notation for 5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-3-(3-methoxyphenyl)-2-phenyldecan-3-ol?
The canonical SMILES for 5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-3-(3-methoxyphenyl)-2-phenyldecan-3-ol is COc1cccc(C(O)(CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(C)c2ccccc2)c1.
What is the InChIKey of 5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-3-(3-methoxyphenyl)-2-phenyldecan-3-ol?
The InChIKey is UCOFCAQGENMFOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F13O2/c1-13(14-7-4-3-5-8-14)17(37,15-9-6-10-16(11-15)38-2)12-18(24,25)19(26,27)20(28,29)21(30,31)22(32,33)23(34,35)36/h3-11,13,37H,12H2,1-2H3.
What are the key properties of 5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-3-(3-methoxyphenyl)-2-phenyldecan-3-ol?
5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-3-(3-methoxyphenyl)-2-phenyldecan-3-ol has a molecular weight of 574.38 g/mol, XLogP of 7.82, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-3-(3-methoxyphenyl)-2-phenyldecan-3-ol is sourced from PubChem (CID 162347326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).