2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-1-naphthalen-2-yloctan-1-ol

C18H9F15O — CID 150329272

IUPAC2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-1-naphthalen-2-yloctan-1-ol
SMILESOC(c1ccc2ccccc2c1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C18H9F15O/c19-12(20,11(34)10-6-5-8-3-1-2-4-9(8)7-10)13(21,22)14(23,24)15(25,26)16(27,28)17(29,30)18(31,32)33/h1-7,11,34H
InChIKeyGPHOMCZRCGOYNC-UHFFFAOYSA-N
MW526.24 g/mol
LogP7.25
Rot. Bonds7

About 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-1-naphthalen-2-yloctan-1-ol

2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-1-naphthalen-2-yloctan-1-ol (PubChem CID 150329272) has the molecular formula C18H9F15O and a molecular weight of 526.24 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-1-naphthalen-2-yloctan-1-ol.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-1-naphthalen-2-yloctan-1-ol
PubChem CID150329272
Molecular FormulaC18H9F15O
Molecular Weight526.24 g/mol
Exact Mass526.04
IUPAC Name2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-1-naphthalen-2-yloctan-1-ol
SMILESOC(c1ccc2ccccc2c1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C18H9F15O/c19-12(20,11(34)10-6-5-8-3-1-2-4-9(8)7-10)13(21,22)14(23,24)15(25,26)16(27,28)17(29,30)18(31,32)33/h1-7,11,34H
InChIKeyGPHOMCZRCGOYNC-UHFFFAOYSA-N
XLogP7.25
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.24
LogP ≤ 57.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-1-naphthalen-2-yloctan-1-ol with MolForge

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Related Compounds

(3R)-2,2-difluoro-3-hydroxy-3-naphthalen-2-yl-1-phenylpropan-1-one
CID 134948100
(1S)-2,2,3,3,3-pentafluoro-1-naphthalen-2-ylpropan-1-amine
CID 171311499
naphthalen-2-ylmethanediol
CID 22496827
3,3,3-trifluoro-1-naphthalen-2-ylpropan-1-ol
CID 55115850
(1R)-2,2,3,3,3-pentafluoro-1-naphthalen-2-ylpropan-1-amine;hydrochloride
CID 171312213
2-methoxy-2-methyl-1-naphthalen-2-ylpropan-1-ol
CID 79196831
4,4,4-trifluoro-1-naphthalen-2-ylbutan-1-ol
CID 64565521
amino(naphthalen-2-yl)methanol
CID 57110079
(2R,3S)-N,N-diethyl-2-fluoro-3-hydroxy-2-methyl-3-naphthalen-2-ylpropanamide
CID 102115212
2-(dimethylamino)-2-ethyl-1-naphthalen-2-ylbutan-1-ol
CID 79061565
3-amino-1-naphthalen-2-ylpropan-1-ol
CID 65184856
3-hydroxy-2-methyl-3-naphthalen-2-yl-1-phenylpropan-1-one
CID 12012921

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-1-naphthalen-2-yloctan-1-ol?
The IUPAC name of 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-1-naphthalen-2-yloctan-1-ol (CID 150329272) is 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-1-naphthalen-2-yloctan-1-ol.
What is the SMILES notation for 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-1-naphthalen-2-yloctan-1-ol?
The canonical SMILES for 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-1-naphthalen-2-yloctan-1-ol is OC(c1ccc2ccccc2c1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-1-naphthalen-2-yloctan-1-ol?
The InChIKey is GPHOMCZRCGOYNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H9F15O/c19-12(20,11(34)10-6-5-8-3-1-2-4-9(8)7-10)13(21,22)14(23,24)15(25,26)16(27,28)17(29,30)18(31,32)33/h1-7,11,34H.
What are the key properties of 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-1-naphthalen-2-yloctan-1-ol?
2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-1-naphthalen-2-yloctan-1-ol has a molecular weight of 526.24 g/mol, XLogP of 7.25, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-1-naphthalen-2-yloctan-1-ol is sourced from PubChem (CID 150329272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).