4-ethoxy-5,5,5-trifluoropentan-1-ol

C7H13F3O2 — CID 14817039

IUPAC4-ethoxy-5,5,5-trifluoropentan-1-ol
SMILESCCOC(CCCO)C(F)(F)F
InChIInChI=1S/C7H13F3O2/c1-2-12-6(4-3-5-11)7(8,9)10/h6,11H,2-5H2,1H3
InChIKeyUOQYXVCDQVLGME-UHFFFAOYSA-N
MW186.17 g/mol
LogP1.73
Rot. Bonds5

About 4-ethoxy-5,5,5-trifluoropentan-1-ol

4-ethoxy-5,5,5-trifluoropentan-1-ol (PubChem CID 14817039) has the molecular formula C7H13F3O2 and a molecular weight of 186.17 g/mol. Its IUPAC name is 4-ethoxy-5,5,5-trifluoropentan-1-ol.

Molecular Properties

Compound Name4-ethoxy-5,5,5-trifluoropentan-1-ol
PubChem CID14817039
Molecular FormulaC7H13F3O2
Molecular Weight186.17 g/mol
Exact Mass186.09
IUPAC Name4-ethoxy-5,5,5-trifluoropentan-1-ol
SMILESCCOC(CCCO)C(F)(F)F
InChIInChI=1S/C7H13F3O2/c1-2-12-6(4-3-5-11)7(8,9)10/h6,11H,2-5H2,1H3
InChIKeyUOQYXVCDQVLGME-UHFFFAOYSA-N
XLogP1.73
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.17
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5,5,5-Trifluoropentane-1,4-diol
CID 12626885
4-Ethoxy-1,1,1-trifluorohexan-2-ol
CID 17788575
5-Ethoxy-1,1,1,2,2-pentafluoropentan-3-ol
CID 19690261
4-Ethoxy-1,1,1-trifluorobutan-2-ol
CID 19690268
1,1,1-Trifluoro-5-propoxypentan-2-ol
CID 19690300
3-Ethoxy-4,4,4-trifluorobutan-1-ol
CID 19905060
4,4,4-Trifluoro-3-pentoxybutan-1-ol
CID 19905065
4,4,4-Trifluoro-3-propoxybutan-1-ol
CID 19905072
3,3,3-Trifluoro-2-pentoxypropan-1-ol
CID 21811435
5-Ethoxy-1,1,1-trifluoropentan-2-ol
CID 23297273
(2R)-5-ethoxy-1,1,1-trifluoropentan-2-ol
CID 53645352
(3R)-5-ethoxy-1,1,1,2,2-pentafluoropentan-3-ol
CID 53663289

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-5,5,5-trifluoropentan-1-ol?
The IUPAC name of 4-ethoxy-5,5,5-trifluoropentan-1-ol (CID 14817039) is 4-ethoxy-5,5,5-trifluoropentan-1-ol.
What is the SMILES notation for 4-ethoxy-5,5,5-trifluoropentan-1-ol?
The canonical SMILES for 4-ethoxy-5,5,5-trifluoropentan-1-ol is CCOC(CCCO)C(F)(F)F.
What is the InChIKey of 4-ethoxy-5,5,5-trifluoropentan-1-ol?
The InChIKey is UOQYXVCDQVLGME-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3O2/c1-2-12-6(4-3-5-11)7(8,9)10/h6,11H,2-5H2,1H3.
What are the key properties of 4-ethoxy-5,5,5-trifluoropentan-1-ol?
4-ethoxy-5,5,5-trifluoropentan-1-ol has a molecular weight of 186.17 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-5,5,5-trifluoropentan-1-ol is sourced from PubChem (CID 14817039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).