1,1,2,2-tetrafluoro-1-(4-fluorophenoxy)nonan-3-ol

C15H19F5O2 — CID 132579103

IUPAC1,1,2,2-tetrafluoro-1-(4-fluorophenoxy)nonan-3-ol
SMILESCCCCCCC(O)C(F)(F)C(F)(F)Oc1ccc(F)cc1
InChIInChI=1S/C15H19F5O2/c1-2-3-4-5-6-13(21)14(17,18)15(19,20)22-12-9-7-11(16)8-10-12/h7-10,13,21H,2-6H2,1H3
InChIKeyFNNKABWFRNTCQP-UHFFFAOYSA-N
MW326.31 g/mol
LogP4.76
Rot. Bonds9

About 1,1,2,2-tetrafluoro-1-(4-fluorophenoxy)nonan-3-ol

1,1,2,2-tetrafluoro-1-(4-fluorophenoxy)nonan-3-ol (PubChem CID 132579103) has the molecular formula C15H19F5O2 and a molecular weight of 326.31 g/mol. Its IUPAC name is 1,1,2,2-tetrafluoro-1-(4-fluorophenoxy)nonan-3-ol.

Molecular Properties

Compound Name1,1,2,2-tetrafluoro-1-(4-fluorophenoxy)nonan-3-ol
PubChem CID132579103
Molecular FormulaC15H19F5O2
Molecular Weight326.31 g/mol
Exact Mass326.13
IUPAC Name1,1,2,2-tetrafluoro-1-(4-fluorophenoxy)nonan-3-ol
SMILESCCCCCCC(O)C(F)(F)C(F)(F)Oc1ccc(F)cc1
InChIInChI=1S/C15H19F5O2/c1-2-3-4-5-6-13(21)14(17,18)15(19,20)22-12-9-7-11(16)8-10-12/h7-10,13,21H,2-6H2,1H3
InChIKeyFNNKABWFRNTCQP-UHFFFAOYSA-N
XLogP4.76
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.31
LogP ≤ 54.76
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2-tetrafluoro-1-(4-fluorophenoxy)nonan-3-ol?
The IUPAC name of 1,1,2,2-tetrafluoro-1-(4-fluorophenoxy)nonan-3-ol (CID 132579103) is 1,1,2,2-tetrafluoro-1-(4-fluorophenoxy)nonan-3-ol.
What is the SMILES notation for 1,1,2,2-tetrafluoro-1-(4-fluorophenoxy)nonan-3-ol?
The canonical SMILES for 1,1,2,2-tetrafluoro-1-(4-fluorophenoxy)nonan-3-ol is CCCCCCC(O)C(F)(F)C(F)(F)Oc1ccc(F)cc1.
What is the InChIKey of 1,1,2,2-tetrafluoro-1-(4-fluorophenoxy)nonan-3-ol?
The InChIKey is FNNKABWFRNTCQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F5O2/c1-2-3-4-5-6-13(21)14(17,18)15(19,20)22-12-9-7-11(16)8-10-12/h7-10,13,21H,2-6H2,1H3.
What are the key properties of 1,1,2,2-tetrafluoro-1-(4-fluorophenoxy)nonan-3-ol?
1,1,2,2-tetrafluoro-1-(4-fluorophenoxy)nonan-3-ol has a molecular weight of 326.31 g/mol, XLogP of 4.76, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2-tetrafluoro-1-(4-fluorophenoxy)nonan-3-ol is sourced from PubChem (CID 132579103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).