2,2,3,3,4,4,5,5,5-nonafluoro-1-naphthalen-1-ylpentan-1-ol

C15H9F9O — CID 101433639

IUPAC2,2,3,3,4,4,5,5,5-nonafluoro-1-naphthalen-1-ylpentan-1-ol
SMILESOC(c1cccc2ccccc12)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C15H9F9O/c16-12(17,13(18,19)14(20,21)15(22,23)24)11(25)10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11,25H
InChIKeyIVDMEVQZRFRXML-UHFFFAOYSA-N
MW376.22 g/mol
LogP5.34
Rot. Bonds4

About 2,2,3,3,4,4,5,5,5-nonafluoro-1-naphthalen-1-ylpentan-1-ol

2,2,3,3,4,4,5,5,5-nonafluoro-1-naphthalen-1-ylpentan-1-ol (PubChem CID 101433639) has the molecular formula C15H9F9O and a molecular weight of 376.22 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5,5-nonafluoro-1-naphthalen-1-ylpentan-1-ol.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5,5-nonafluoro-1-naphthalen-1-ylpentan-1-ol
PubChem CID101433639
Molecular FormulaC15H9F9O
Molecular Weight376.22 g/mol
Exact Mass376.05
IUPAC Name2,2,3,3,4,4,5,5,5-nonafluoro-1-naphthalen-1-ylpentan-1-ol
SMILESOC(c1cccc2ccccc12)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C15H9F9O/c16-12(17,13(18,19)14(20,21)15(22,23)24)11(25)10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11,25H
InChIKeyIVDMEVQZRFRXML-UHFFFAOYSA-N
XLogP5.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.22
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,5,5,5-nonafluoro-1-naphthalen-1-ylpentan-1-ol?
The IUPAC name of 2,2,3,3,4,4,5,5,5-nonafluoro-1-naphthalen-1-ylpentan-1-ol (CID 101433639) is 2,2,3,3,4,4,5,5,5-nonafluoro-1-naphthalen-1-ylpentan-1-ol.
What is the SMILES notation for 2,2,3,3,4,4,5,5,5-nonafluoro-1-naphthalen-1-ylpentan-1-ol?
The canonical SMILES for 2,2,3,3,4,4,5,5,5-nonafluoro-1-naphthalen-1-ylpentan-1-ol is OC(c1cccc2ccccc12)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,4,4,5,5,5-nonafluoro-1-naphthalen-1-ylpentan-1-ol?
The InChIKey is IVDMEVQZRFRXML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F9O/c16-12(17,13(18,19)14(20,21)15(22,23)24)11(25)10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11,25H.
What are the key properties of 2,2,3,3,4,4,5,5,5-nonafluoro-1-naphthalen-1-ylpentan-1-ol?
2,2,3,3,4,4,5,5,5-nonafluoro-1-naphthalen-1-ylpentan-1-ol has a molecular weight of 376.22 g/mol, XLogP of 5.34, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5,5-nonafluoro-1-naphthalen-1-ylpentan-1-ol is sourced from PubChem (CID 101433639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).