1-(2,2,2-trifluoroethoxy)nonan-3-one

C11H19F3O2 — CID 103146875

IUPAC1-(2,2,2-trifluoroethoxy)nonan-3-one
SMILESCCCCCCC(=O)CCOCC(F)(F)F
InChIInChI=1S/C11H19F3O2/c1-2-3-4-5-6-10(15)7-8-16-9-11(12,13)14/h2-9H2,1H3
InChIKeyLDOZQRFDXXXGRI-UHFFFAOYSA-N
MW240.26 g/mol
LogP3.49
Rot. Bonds9

About 1-(2,2,2-trifluoroethoxy)nonan-3-one

1-(2,2,2-trifluoroethoxy)nonan-3-one (PubChem CID 103146875) has the molecular formula C11H19F3O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethoxy)nonan-3-one.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethoxy)nonan-3-one
PubChem CID103146875
Molecular FormulaC11H19F3O2
Molecular Weight240.26 g/mol
Exact Mass240.13
IUPAC Name1-(2,2,2-trifluoroethoxy)nonan-3-one
SMILESCCCCCCC(=O)CCOCC(F)(F)F
InChIInChI=1S/C11H19F3O2/c1-2-3-4-5-6-10(15)7-8-16-9-11(12,13)14/h2-9H2,1H3
InChIKeyLDOZQRFDXXXGRI-UHFFFAOYSA-N
XLogP3.49
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 53.49
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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Related Compounds

9-(2,2,2-trifluoroethoxy)nonan-4-one
CID 64502644
1-(2,2,2-trifluoroethoxy)heptan-4-one
CID 61490504
1-propoxyhenicosan-4-one
CID 157232243
1,1,1-trifluorotetradecan-4-one
CID 79954066
1-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]octan-3-one
CID 171850546
pentacosan-7-one
CID 54551687
pentacosane-7,19-dione
CID 139254510
nonadecan-7-one
CID 12913434
1-(3-hydroxypropoxy)pentadecan-5-one
CID 158545572
pentadecan-8-one
CID 13162
tricosan-12-one
CID 10888
nonatriacontane-8,29-dione
CID 150237018

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trifluoroethoxy)nonan-3-one?
The IUPAC name of 1-(2,2,2-trifluoroethoxy)nonan-3-one (CID 103146875) is 1-(2,2,2-trifluoroethoxy)nonan-3-one.
What is the SMILES notation for 1-(2,2,2-trifluoroethoxy)nonan-3-one?
The canonical SMILES for 1-(2,2,2-trifluoroethoxy)nonan-3-one is CCCCCCC(=O)CCOCC(F)(F)F.
What is the InChIKey of 1-(2,2,2-trifluoroethoxy)nonan-3-one?
The InChIKey is LDOZQRFDXXXGRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3O2/c1-2-3-4-5-6-10(15)7-8-16-9-11(12,13)14/h2-9H2,1H3.
What are the key properties of 1-(2,2,2-trifluoroethoxy)nonan-3-one?
1-(2,2,2-trifluoroethoxy)nonan-3-one has a molecular weight of 240.26 g/mol, XLogP of 3.49, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-trifluoroethoxy)nonan-3-one is sourced from PubChem (CID 103146875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).