8-ethoxy-1,1,1-trifluorooctan-2-ol

C10H19F3O2 — CID 19365294

IUPAC8-ethoxy-1,1,1-trifluorooctan-2-ol
SMILESCCOCCCCCCC(O)C(F)(F)F
InChIInChI=1S/C10H19F3O2/c1-2-15-8-6-4-3-5-7-9(14)10(11,12)13/h9,14H,2-8H2,1H3
InChIKeyADKZEAIOYREXQO-UHFFFAOYSA-N
MW228.25 g/mol
LogP2.90
Rot. Bonds8

About 8-ethoxy-1,1,1-trifluorooctan-2-ol

8-ethoxy-1,1,1-trifluorooctan-2-ol (PubChem CID 19365294) has the molecular formula C10H19F3O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is 8-ethoxy-1,1,1-trifluorooctan-2-ol.

Molecular Properties

Compound Name8-ethoxy-1,1,1-trifluorooctan-2-ol
PubChem CID19365294
Molecular FormulaC10H19F3O2
Molecular Weight228.25 g/mol
Exact Mass228.13
IUPAC Name8-ethoxy-1,1,1-trifluorooctan-2-ol
SMILESCCOCCCCCCC(O)C(F)(F)F
InChIInChI=1S/C10H19F3O2/c1-2-15-8-6-4-3-5-7-9(14)10(11,12)13/h9,14H,2-8H2,1H3
InChIKeyADKZEAIOYREXQO-UHFFFAOYSA-N
XLogP2.90
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 52.90
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

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1,1,1-trifluoro-8-pentoxyoctan-2-ol
CID 139609867
(2R)-1,1,1-trifluoroundecan-2-ol
CID 2779105
(2S)-1,1,1-trifluorodecan-2-ol
CID 10878470
14-ethoxytetradecane-1,3-diol
CID 57222760
1-ethoxy-17-methyloctadecane
CID 91042875
(2R)-1,1,1-trifluoro-7-methyloctan-2-ol
CID 18396357
(2R)-1,1,1-trifluoropentan-2-ol
CID 13299815
2-(2-ethoxyethoxy)ethyl 4,4,4-trifluoro-3-hydroxybutanoate
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2-(11-ethoxy-6-hydroxyundecoxy)acetaldehyde
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Frequently Asked Questions

What is the IUPAC name of 8-ethoxy-1,1,1-trifluorooctan-2-ol?
The IUPAC name of 8-ethoxy-1,1,1-trifluorooctan-2-ol (CID 19365294) is 8-ethoxy-1,1,1-trifluorooctan-2-ol.
What is the SMILES notation for 8-ethoxy-1,1,1-trifluorooctan-2-ol?
The canonical SMILES for 8-ethoxy-1,1,1-trifluorooctan-2-ol is CCOCCCCCCC(O)C(F)(F)F.
What is the InChIKey of 8-ethoxy-1,1,1-trifluorooctan-2-ol?
The InChIKey is ADKZEAIOYREXQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3O2/c1-2-15-8-6-4-3-5-7-9(14)10(11,12)13/h9,14H,2-8H2,1H3.
What are the key properties of 8-ethoxy-1,1,1-trifluorooctan-2-ol?
8-ethoxy-1,1,1-trifluorooctan-2-ol has a molecular weight of 228.25 g/mol, XLogP of 2.90, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethoxy-1,1,1-trifluorooctan-2-ol is sourced from PubChem (CID 19365294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).