10-ethoxy-1,1,1-trifluorodecan-2-ol

C12H23F3O2 — CID 86189496

IUPAC10-ethoxy-1,1,1-trifluorodecan-2-ol
SMILESCCOCCCCCCCCC(O)C(F)(F)F
InChIInChI=1S/C12H23F3O2/c1-2-17-10-8-6-4-3-5-7-9-11(16)12(13,14)15/h11,16H,2-10H2,1H3
InChIKeyKWHQCPLJWDUHTP-UHFFFAOYSA-N
MW256.31 g/mol
LogP3.68
Rot. Bonds10

About 10-ethoxy-1,1,1-trifluorodecan-2-ol

10-ethoxy-1,1,1-trifluorodecan-2-ol (PubChem CID 86189496) has the molecular formula C12H23F3O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 10-ethoxy-1,1,1-trifluorodecan-2-ol.

Molecular Properties

Compound Name10-ethoxy-1,1,1-trifluorodecan-2-ol
PubChem CID86189496
Molecular FormulaC12H23F3O2
Molecular Weight256.31 g/mol
Exact Mass256.17
IUPAC Name10-ethoxy-1,1,1-trifluorodecan-2-ol
SMILESCCOCCCCCCCCC(O)C(F)(F)F
InChIInChI=1S/C12H23F3O2/c1-2-17-10-8-6-4-3-5-7-9-11(16)12(13,14)15/h11,16H,2-10H2,1H3
InChIKeyKWHQCPLJWDUHTP-UHFFFAOYSA-N
XLogP3.68
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 53.68
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

8-ethoxy-1,1,1-trifluorooctan-2-ol
CID 19365294
(2R)-7-ethoxy-1,1,1-trifluoroheptan-2-ol
CID 10198260
1,1,1-trifluoro-6-nonoxyhexan-2-ol
CID 139609821
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
CID 22481559
2-(11-ethoxy-6-hydroxyundecoxy)acetaldehyde
CID 175620822

Frequently Asked Questions

What is the IUPAC name of 10-ethoxy-1,1,1-trifluorodecan-2-ol?
The IUPAC name of 10-ethoxy-1,1,1-trifluorodecan-2-ol (CID 86189496) is 10-ethoxy-1,1,1-trifluorodecan-2-ol.
What is the SMILES notation for 10-ethoxy-1,1,1-trifluorodecan-2-ol?
The canonical SMILES for 10-ethoxy-1,1,1-trifluorodecan-2-ol is CCOCCCCCCCCC(O)C(F)(F)F.
What is the InChIKey of 10-ethoxy-1,1,1-trifluorodecan-2-ol?
The InChIKey is KWHQCPLJWDUHTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3O2/c1-2-17-10-8-6-4-3-5-7-9-11(16)12(13,14)15/h11,16H,2-10H2,1H3.
What are the key properties of 10-ethoxy-1,1,1-trifluorodecan-2-ol?
10-ethoxy-1,1,1-trifluorodecan-2-ol has a molecular weight of 256.31 g/mol, XLogP of 3.68, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-ethoxy-1,1,1-trifluorodecan-2-ol is sourced from PubChem (CID 86189496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).