3-decan-2-yloxy-1,1,1-trifluoropropan-2-ol

C13H25F3O2 — CID 102048641

IUPAC3-decan-2-yloxy-1,1,1-trifluoropropan-2-ol
SMILESCCCCCCCCC(C)OCC(O)C(F)(F)F
InChIInChI=1S/C13H25F3O2/c1-3-4-5-6-7-8-9-11(2)18-10-12(17)13(14,15)16/h11-12,17H,3-10H2,1-2H3
InChIKeyACYQENSJJMEILX-UHFFFAOYSA-N
MW270.33 g/mol
LogP4.07
Rot. Bonds10

About 3-decan-2-yloxy-1,1,1-trifluoropropan-2-ol

3-decan-2-yloxy-1,1,1-trifluoropropan-2-ol (PubChem CID 102048641) has the molecular formula C13H25F3O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 3-decan-2-yloxy-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-decan-2-yloxy-1,1,1-trifluoropropan-2-ol
PubChem CID102048641
Molecular FormulaC13H25F3O2
Molecular Weight270.33 g/mol
Exact Mass270.18
IUPAC Name3-decan-2-yloxy-1,1,1-trifluoropropan-2-ol
SMILESCCCCCCCCC(C)OCC(O)C(F)(F)F
InChIInChI=1S/C13H25F3O2/c1-3-4-5-6-7-8-9-11(2)18-10-12(17)13(14,15)16/h11-12,17H,3-10H2,1-2H3
InChIKeyACYQENSJJMEILX-UHFFFAOYSA-N
XLogP4.07
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
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 3-decan-2-yloxy-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-decan-2-yloxy-1,1,1-trifluoropropan-2-ol (CID 102048641) is 3-decan-2-yloxy-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-decan-2-yloxy-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-decan-2-yloxy-1,1,1-trifluoropropan-2-ol is CCCCCCCCC(C)OCC(O)C(F)(F)F.
What is the InChIKey of 3-decan-2-yloxy-1,1,1-trifluoropropan-2-ol?
The InChIKey is ACYQENSJJMEILX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F3O2/c1-3-4-5-6-7-8-9-11(2)18-10-12(17)13(14,15)16/h11-12,17H,3-10H2,1-2H3.
What are the key properties of 3-decan-2-yloxy-1,1,1-trifluoropropan-2-ol?
3-decan-2-yloxy-1,1,1-trifluoropropan-2-ol has a molecular weight of 270.33 g/mol, XLogP of 4.07, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-decan-2-yloxy-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 102048641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).