1-(2,2,3,3-tetrafluoropropoxy)dodecan-2-one

C15H26F4O2 — CID 103473872

IUPAC1-(2,2,3,3-tetrafluoropropoxy)dodecan-2-one
SMILESCCCCCCCCCCC(=O)COCC(F)(F)C(F)F
InChIInChI=1S/C15H26F4O2/c1-2-3-4-5-6-7-8-9-10-13(20)11-21-12-15(18,19)14(16)17/h14H,2-12H2,1H3
InChIKeyQSPOJRDZLCTXLY-UHFFFAOYSA-N
MW314.36 g/mol
LogP5.00
Rot. Bonds14

About 1-(2,2,3,3-tetrafluoropropoxy)dodecan-2-one

1-(2,2,3,3-tetrafluoropropoxy)dodecan-2-one (PubChem CID 103473872) has the molecular formula C15H26F4O2 and a molecular weight of 314.36 g/mol. Its IUPAC name is 1-(2,2,3,3-tetrafluoropropoxy)dodecan-2-one.

Molecular Properties

Compound Name1-(2,2,3,3-tetrafluoropropoxy)dodecan-2-one
PubChem CID103473872
Molecular FormulaC15H26F4O2
Molecular Weight314.36 g/mol
Exact Mass314.19
IUPAC Name1-(2,2,3,3-tetrafluoropropoxy)dodecan-2-one
SMILESCCCCCCCCCCC(=O)COCC(F)(F)C(F)F
InChIInChI=1S/C15H26F4O2/c1-2-3-4-5-6-7-8-9-10-13(20)11-21-12-15(18,19)14(16)17/h14H,2-12H2,1H3
InChIKeyQSPOJRDZLCTXLY-UHFFFAOYSA-N
XLogP5.00
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.36
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2,2,3,3-tetrafluoropropoxy)hexan-2-one
CID 103473659
1-ethoxyhexadecan-2-one
CID 58991968
1-hexoxyundecan-2-one
CID 57063853
1-(2,2,2-trifluoroethoxy)nonan-3-one
CID 103146875
2-oxodecyl carbamate
CID 175306770
1-(2-aminoethoxy)dodecan-2-one
CID 116590896
1-methoxydecan-2-one
CID 10352423
1,1,1-trifluorotridecan-3-one
CID 14914275
1,1,1-trifluoroundecan-3-one
CID 62620056
pentacosane-7,19-dione
CID 139254510
nonadecan-7-one
CID 12913434
pentadecan-8-one
CID 13162

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,3,3-tetrafluoropropoxy)dodecan-2-one?
The IUPAC name of 1-(2,2,3,3-tetrafluoropropoxy)dodecan-2-one (CID 103473872) is 1-(2,2,3,3-tetrafluoropropoxy)dodecan-2-one.
What is the SMILES notation for 1-(2,2,3,3-tetrafluoropropoxy)dodecan-2-one?
The canonical SMILES for 1-(2,2,3,3-tetrafluoropropoxy)dodecan-2-one is CCCCCCCCCCC(=O)COCC(F)(F)C(F)F.
What is the InChIKey of 1-(2,2,3,3-tetrafluoropropoxy)dodecan-2-one?
The InChIKey is QSPOJRDZLCTXLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F4O2/c1-2-3-4-5-6-7-8-9-10-13(20)11-21-12-15(18,19)14(16)17/h14H,2-12H2,1H3.
What are the key properties of 1-(2,2,3,3-tetrafluoropropoxy)dodecan-2-one?
1-(2,2,3,3-tetrafluoropropoxy)dodecan-2-one has a molecular weight of 314.36 g/mol, XLogP of 5.00, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,3,3-tetrafluoropropoxy)dodecan-2-one is sourced from PubChem (CID 103473872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).