1,1,1-trifluoro-8-pentoxyoctan-2-ol

C13H25F3O2 — CID 139609867

IUPAC1,1,1-trifluoro-8-pentoxyoctan-2-ol
SMILESCCCCCOCCCCCCC(O)C(F)(F)F
InChIInChI=1S/C13H25F3O2/c1-2-3-7-10-18-11-8-5-4-6-9-12(17)13(14,15)16/h12,17H,2-11H2,1H3
InChIKeyVLOZNMGSJRAIMC-UHFFFAOYSA-N
MW270.33 g/mol
LogP4.07
Rot. Bonds11

About 1,1,1-trifluoro-8-pentoxyoctan-2-ol

1,1,1-trifluoro-8-pentoxyoctan-2-ol (PubChem CID 139609867) has the molecular formula C13H25F3O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 1,1,1-trifluoro-8-pentoxyoctan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-8-pentoxyoctan-2-ol
PubChem CID139609867
Molecular FormulaC13H25F3O2
Molecular Weight270.33 g/mol
Exact Mass270.18
IUPAC Name1,1,1-trifluoro-8-pentoxyoctan-2-ol
SMILESCCCCCOCCCCCCC(O)C(F)(F)F
InChIInChI=1S/C13H25F3O2/c1-2-3-7-10-18-11-8-5-4-6-9-12(17)13(14,15)16/h12,17H,2-11H2,1H3
InChIKeyVLOZNMGSJRAIMC-UHFFFAOYSA-N
XLogP4.07
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
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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Related Compounds

1,1,1-trifluoro-6-nonoxyhexan-2-ol
CID 139609821
(2R)-1,1,1-trifluoroundecan-2-ol
CID 2779105
(2S)-1,1,1-trifluorodecan-2-ol
CID 10878470
8-ethoxy-1,1,1-trifluorooctan-2-ol
CID 19365294
(2R)-7-ethoxy-1,1,1-trifluoroheptan-2-ol
CID 10198260
10-ethoxy-1,1,1-trifluorodecan-2-ol
CID 86189496
12-(7-hydroxydodecoxy)dodecan-6-ol
CID 90689628
1,19-dibutoxynonadecan-10-ol
CID 129293593
9-fluoro-1-(9-fluoropentacosoxy)pentacosane
CID 175553006
22-butoxydocosan-2-ol
CID 88608244
1-heptoxydocosane
CID 91692957
1-(6-pentadecoxyhexoxy)pentadecane
CID 139884766

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-8-pentoxyoctan-2-ol?
The IUPAC name of 1,1,1-trifluoro-8-pentoxyoctan-2-ol (CID 139609867) is 1,1,1-trifluoro-8-pentoxyoctan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-8-pentoxyoctan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-8-pentoxyoctan-2-ol is CCCCCOCCCCCCC(O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-8-pentoxyoctan-2-ol?
The InChIKey is VLOZNMGSJRAIMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F3O2/c1-2-3-7-10-18-11-8-5-4-6-9-12(17)13(14,15)16/h12,17H,2-11H2,1H3.
What are the key properties of 1,1,1-trifluoro-8-pentoxyoctan-2-ol?
1,1,1-trifluoro-8-pentoxyoctan-2-ol has a molecular weight of 270.33 g/mol, XLogP of 4.07, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-8-pentoxyoctan-2-ol is sourced from PubChem (CID 139609867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).