2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)-1,3-dihydroinden-2-ol

C16H9F15O — CID 150258584

IUPAC2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)-1,3-dihydroinden-2-ol
SMILESOC1(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)Cc2ccccc2C1
InChIInChI=1S/C16H9F15O/c17-10(18,9(32)5-7-3-1-2-4-8(7)6-9)11(19,20)12(21,22)13(23,24)14(25,26)15(27,28)16(29,30)31/h1-4,32H,5-6H2
InChIKeyGBBOHQQIDQMUKL-UHFFFAOYSA-N
MW502.22 g/mol
LogP5.89
Rot. Bonds6

About 2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)-1,3-dihydroinden-2-ol

2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)-1,3-dihydroinden-2-ol (PubChem CID 150258584) has the molecular formula C16H9F15O and a molecular weight of 502.22 g/mol. Its IUPAC name is 2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)-1,3-dihydroinden-2-ol.

Molecular Properties

Compound Name2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)-1,3-dihydroinden-2-ol
PubChem CID150258584
Molecular FormulaC16H9F15O
Molecular Weight502.22 g/mol
Exact Mass502.04
IUPAC Name2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)-1,3-dihydroinden-2-ol
SMILESOC1(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)Cc2ccccc2C1
InChIInChI=1S/C16H9F15O/c17-10(18,9(32)5-7-3-1-2-4-8(7)6-9)11(19,20)12(21,22)13(23,24)14(25,26)15(27,28)16(29,30)31/h1-4,32H,5-6H2
InChIKeyGBBOHQQIDQMUKL-UHFFFAOYSA-N
XLogP5.89
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.22
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(1,1,2,2,3,3,3-heptafluoropropyl)-1,3-dihydroinden-2-ol
CID 151156434
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CID 132961636
2-(1-amino-2-methylbutan-2-yl)-1,3-dihydroinden-2-ol
CID 79128658
2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)phenol
CID 12871968
N-methyl-2-(trifluoromethyl)-1,3-dihydroinden-2-amine
CID 66205549
2-(dibromomethyl)-1,3-dihydroinden-2-ol
CID 72793193
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,21-tetratetracontafluorohenicosane
CID 141072652
tris[2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)phenyl]phosphane
CID 102270271
2,2,2-trifluoro-N-(2-methyl-1,3-dihydroinden-2-yl)acetamide
CID 22499214
(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluoro-1,1-diphenyldecyl)phosphane
CID 87504522
N-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]-N'-(2,2,2-trifluoroethyl)oxamide
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N-[[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]-N'-(2,2,2-trifluoroethyl)oxamide
CID 97042706

Frequently Asked Questions

What is the IUPAC name of 2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)-1,3-dihydroinden-2-ol?
The IUPAC name of 2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)-1,3-dihydroinden-2-ol (CID 150258584) is 2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)-1,3-dihydroinden-2-ol.
What is the SMILES notation for 2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)-1,3-dihydroinden-2-ol?
The canonical SMILES for 2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)-1,3-dihydroinden-2-ol is OC1(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)Cc2ccccc2C1.
What is the InChIKey of 2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)-1,3-dihydroinden-2-ol?
The InChIKey is GBBOHQQIDQMUKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F15O/c17-10(18,9(32)5-7-3-1-2-4-8(7)6-9)11(19,20)12(21,22)13(23,24)14(25,26)15(27,28)16(29,30)31/h1-4,32H,5-6H2.
What are the key properties of 2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)-1,3-dihydroinden-2-ol?
2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)-1,3-dihydroinden-2-ol has a molecular weight of 502.22 g/mol, XLogP of 5.89, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)-1,3-dihydroinden-2-ol is sourced from PubChem (CID 150258584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).