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

C17H17F15O — CID 150340897

IUPAC1-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)-2-pentylcyclopent-2-en-1-ol
SMILESCCCCCC1=CCCC1(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C17H17F15O/c1-2-3-4-6-9-7-5-8-10(9,33)11(18,19)12(20,21)13(22,23)14(24,25)15(26,27)16(28,29)17(30,31)32/h7,33H,2-6,8H2,1H3
InChIKeyGRRQFMBEMOXWFS-UHFFFAOYSA-N
MW522.29 g/mol
LogP7.39
Rot. Bonds10

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

1-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)-2-pentylcyclopent-2-en-1-ol (PubChem CID 150340897) has the molecular formula C17H17F15O and a molecular weight of 522.29 g/mol. Its IUPAC name is 1-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)-2-pentylcyclopent-2-en-1-ol.

Molecular Properties

Compound Name1-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)-2-pentylcyclopent-2-en-1-ol
PubChem CID150340897
Molecular FormulaC17H17F15O
Molecular Weight522.29 g/mol
Exact Mass522.10
IUPAC Name1-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)-2-pentylcyclopent-2-en-1-ol
SMILESCCCCCC1=CCCC1(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C17H17F15O/c1-2-3-4-6-9-7-5-8-10(9,33)11(18,19)12(20,21)13(22,23)14(24,25)15(26,27)16(28,29)17(30,31)32/h7,33H,2-6,8H2,1H3
InChIKeyGRRQFMBEMOXWFS-UHFFFAOYSA-N
XLogP7.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.29
LogP ≤ 57.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)-2-pentylcyclopent-2-en-1-ol?
The IUPAC name of 1-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)-2-pentylcyclopent-2-en-1-ol (CID 150340897) is 1-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)-2-pentylcyclopent-2-en-1-ol.
What is the SMILES notation for 1-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)-2-pentylcyclopent-2-en-1-ol?
The canonical SMILES for 1-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)-2-pentylcyclopent-2-en-1-ol is CCCCCC1=CCCC1(O)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 1-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)-2-pentylcyclopent-2-en-1-ol?
The InChIKey is GRRQFMBEMOXWFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F15O/c1-2-3-4-6-9-7-5-8-10(9,33)11(18,19)12(20,21)13(22,23)14(24,25)15(26,27)16(28,29)17(30,31)32/h7,33H,2-6,8H2,1H3.
What are the key properties of 1-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)-2-pentylcyclopent-2-en-1-ol?
1-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)-2-pentylcyclopent-2-en-1-ol has a molecular weight of 522.29 g/mol, XLogP of 7.39, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)-2-pentylcyclopent-2-en-1-ol is sourced from PubChem (CID 150340897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).