10-(2,2,2-trifluoroethoxy)decan-2-one

C12H21F3O2 — CID 145336862

IUPAC10-(2,2,2-trifluoroethoxy)decan-2-one
SMILESCC(=O)CCCCCCCCOCC(F)(F)F
InChIInChI=1S/C12H21F3O2/c1-11(16)8-6-4-2-3-5-7-9-17-10-12(13,14)15/h2-10H2,1H3
InChIKeyCUUGVIFLZLCQCZ-UHFFFAOYSA-N
MW254.29 g/mol
LogP3.88
Rot. Bonds10

About 10-(2,2,2-trifluoroethoxy)decan-2-one

10-(2,2,2-trifluoroethoxy)decan-2-one (PubChem CID 145336862) has the molecular formula C12H21F3O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 10-(2,2,2-trifluoroethoxy)decan-2-one.

Molecular Properties

Compound Name10-(2,2,2-trifluoroethoxy)decan-2-one
PubChem CID145336862
Molecular FormulaC12H21F3O2
Molecular Weight254.29 g/mol
Exact Mass254.15
IUPAC Name10-(2,2,2-trifluoroethoxy)decan-2-one
SMILESCC(=O)CCCCCCCCOCC(F)(F)F
InChIInChI=1S/C12H21F3O2/c1-11(16)8-6-4-2-3-5-7-9-17-10-12(13,14)15/h2-10H2,1H3
InChIKeyCUUGVIFLZLCQCZ-UHFFFAOYSA-N
XLogP3.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 53.88
H-Bond Donors ≤ 50
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 10-(2,2,2-trifluoroethoxy)decan-2-one?
The IUPAC name of 10-(2,2,2-trifluoroethoxy)decan-2-one (CID 145336862) is 10-(2,2,2-trifluoroethoxy)decan-2-one.
What is the SMILES notation for 10-(2,2,2-trifluoroethoxy)decan-2-one?
The canonical SMILES for 10-(2,2,2-trifluoroethoxy)decan-2-one is CC(=O)CCCCCCCCOCC(F)(F)F.
What is the InChIKey of 10-(2,2,2-trifluoroethoxy)decan-2-one?
The InChIKey is CUUGVIFLZLCQCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3O2/c1-11(16)8-6-4-2-3-5-7-9-17-10-12(13,14)15/h2-10H2,1H3.
What are the key properties of 10-(2,2,2-trifluoroethoxy)decan-2-one?
10-(2,2,2-trifluoroethoxy)decan-2-one has a molecular weight of 254.29 g/mol, XLogP of 3.88, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2,2,2-trifluoroethoxy)decan-2-one is sourced from PubChem (CID 145336862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).