8,8,9,9,10,10,10-heptafluoro-6-(2-phenylethyl)decane-1,6-diol

C18H23F7O2 — CID 162347168

IUPAC8,8,9,9,10,10,10-heptafluoro-6-(2-phenylethyl)decane-1,6-diol
SMILESOCCCCCC(O)(CCc1ccccc1)CC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C18H23F7O2/c19-16(20,17(21,22)18(23,24)25)13-15(27,10-5-2-6-12-26)11-9-14-7-3-1-4-8-14/h1,3-4,7-8,26-27H,2,5-6,9-13H2
InChIKeyOJNBSONWPKAQLU-UHFFFAOYSA-N
MW404.37 g/mol
LogP5.13
Rot. Bonds11

About 8,8,9,9,10,10,10-heptafluoro-6-(2-phenylethyl)decane-1,6-diol

8,8,9,9,10,10,10-heptafluoro-6-(2-phenylethyl)decane-1,6-diol (PubChem CID 162347168) has the molecular formula C18H23F7O2 and a molecular weight of 404.37 g/mol. Its IUPAC name is 8,8,9,9,10,10,10-heptafluoro-6-(2-phenylethyl)decane-1,6-diol.

Molecular Properties

Compound Name8,8,9,9,10,10,10-heptafluoro-6-(2-phenylethyl)decane-1,6-diol
PubChem CID162347168
Molecular FormulaC18H23F7O2
Molecular Weight404.37 g/mol
Exact Mass404.16
IUPAC Name8,8,9,9,10,10,10-heptafluoro-6-(2-phenylethyl)decane-1,6-diol
SMILESOCCCCCC(O)(CCc1ccccc1)CC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C18H23F7O2/c19-16(20,17(21,22)18(23,24)25)13-15(27,10-5-2-6-12-26)11-9-14-7-3-1-4-8-14/h1,3-4,7-8,26-27H,2,5-6,9-13H2
InChIKeyOJNBSONWPKAQLU-UHFFFAOYSA-N
XLogP5.13
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.37
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

8,8,9,9,10,10,11,11,12,12,13,13,13-tridecafluoro-6-(2-phenylethyl)tridecane-1,6-diol
CID 162348412
6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoroundecylbenzene
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2-(2-phenylethyl)propane-1,2,3-triol
CID 67654093
4,4,5,5-tetrafluoro-6-(3-phenylpropoxy)hexan-1-ol
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(6-chloro-3,3,4,4,5,5,6,6-octafluorohexyl)benzene
CID 15485608
2,2-difluoro-18-phenyloctadecanoic acid
CID 67701072
2,2-difluoro-14-phenyltetradecanoic acid
CID 67700090
3-bromopropylbenzene;6-phenylhexan-1-ol
CID 157464823
6-phenylheptane-1,6-diol
CID 11310303
13,13,13-triphenyltridecan-1-ol
CID 150406449
1,1,1-trifluoro-2-(nitromethyl)-4-phenylbutan-2-ol
CID 166448616
5-(4-phenylbutylamino)pentan-1-ol
CID 107317257

Frequently Asked Questions

What is the IUPAC name of 8,8,9,9,10,10,10-heptafluoro-6-(2-phenylethyl)decane-1,6-diol?
The IUPAC name of 8,8,9,9,10,10,10-heptafluoro-6-(2-phenylethyl)decane-1,6-diol (CID 162347168) is 8,8,9,9,10,10,10-heptafluoro-6-(2-phenylethyl)decane-1,6-diol.
What is the SMILES notation for 8,8,9,9,10,10,10-heptafluoro-6-(2-phenylethyl)decane-1,6-diol?
The canonical SMILES for 8,8,9,9,10,10,10-heptafluoro-6-(2-phenylethyl)decane-1,6-diol is OCCCCCC(O)(CCc1ccccc1)CC(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 8,8,9,9,10,10,10-heptafluoro-6-(2-phenylethyl)decane-1,6-diol?
The InChIKey is OJNBSONWPKAQLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F7O2/c19-16(20,17(21,22)18(23,24)25)13-15(27,10-5-2-6-12-26)11-9-14-7-3-1-4-8-14/h1,3-4,7-8,26-27H,2,5-6,9-13H2.
What are the key properties of 8,8,9,9,10,10,10-heptafluoro-6-(2-phenylethyl)decane-1,6-diol?
8,8,9,9,10,10,10-heptafluoro-6-(2-phenylethyl)decane-1,6-diol has a molecular weight of 404.37 g/mol, XLogP of 5.13, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8,9,9,10,10,10-heptafluoro-6-(2-phenylethyl)decane-1,6-diol is sourced from PubChem (CID 162347168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).