9-(4,4,4-trifluorobutoxy)nonan-1-ol

C13H25F3O2 — CID 22407961

IUPAC9-(4,4,4-trifluorobutoxy)nonan-1-ol
SMILESOCCCCCCCCCOCCCC(F)(F)F
InChIInChI=1S/C13H25F3O2/c14-13(15,16)9-8-12-18-11-7-5-3-1-2-4-6-10-17/h17H,1-12H2
InChIKeyWWDGOUCBOSXMKW-UHFFFAOYSA-N
MW270.33 g/mol
LogP4.07
Rot. Bonds12

About 9-(4,4,4-trifluorobutoxy)nonan-1-ol

9-(4,4,4-trifluorobutoxy)nonan-1-ol (PubChem CID 22407961) has the molecular formula C13H25F3O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 9-(4,4,4-trifluorobutoxy)nonan-1-ol.

Molecular Properties

Compound Name9-(4,4,4-trifluorobutoxy)nonan-1-ol
PubChem CID22407961
Molecular FormulaC13H25F3O2
Molecular Weight270.33 g/mol
Exact Mass270.18
IUPAC Name9-(4,4,4-trifluorobutoxy)nonan-1-ol
SMILESOCCCCCCCCCOCCCC(F)(F)F
InChIInChI=1S/C13H25F3O2/c14-13(15,16)9-8-12-18-11-7-5-3-1-2-4-6-10-17/h17H,1-12H2
InChIKeyWWDGOUCBOSXMKW-UHFFFAOYSA-N
XLogP4.07
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-(4,4,4-trifluorobutoxy)nonan-1-ol?
The IUPAC name of 9-(4,4,4-trifluorobutoxy)nonan-1-ol (CID 22407961) is 9-(4,4,4-trifluorobutoxy)nonan-1-ol.
What is the SMILES notation for 9-(4,4,4-trifluorobutoxy)nonan-1-ol?
The canonical SMILES for 9-(4,4,4-trifluorobutoxy)nonan-1-ol is OCCCCCCCCCOCCCC(F)(F)F.
What is the InChIKey of 9-(4,4,4-trifluorobutoxy)nonan-1-ol?
The InChIKey is WWDGOUCBOSXMKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F3O2/c14-13(15,16)9-8-12-18-11-7-5-3-1-2-4-6-10-17/h17H,1-12H2.
What are the key properties of 9-(4,4,4-trifluorobutoxy)nonan-1-ol?
9-(4,4,4-trifluorobutoxy)nonan-1-ol has a molecular weight of 270.33 g/mol, XLogP of 4.07, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4,4,4-trifluorobutoxy)nonan-1-ol is sourced from PubChem (CID 22407961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).