1-(2,2,2-trifluoroethoxy)non-8-en-2-one

C11H17F3O2 — CID 107008459

IUPAC1-(2,2,2-trifluoroethoxy)non-8-en-2-one
SMILESC=CCCCCCC(=O)COCC(F)(F)F
InChIInChI=1S/C11H17F3O2/c1-2-3-4-5-6-7-10(15)8-16-9-11(12,13)14/h2H,1,3-9H2
InChIKeyIXSOIHLOEPPBGQ-UHFFFAOYSA-N
MW238.25 g/mol
LogP3.27
Rot. Bonds9

About 1-(2,2,2-trifluoroethoxy)non-8-en-2-one

1-(2,2,2-trifluoroethoxy)non-8-en-2-one (PubChem CID 107008459) has the molecular formula C11H17F3O2 and a molecular weight of 238.25 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethoxy)non-8-en-2-one.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethoxy)non-8-en-2-one
PubChem CID107008459
Molecular FormulaC11H17F3O2
Molecular Weight238.25 g/mol
Exact Mass238.12
IUPAC Name1-(2,2,2-trifluoroethoxy)non-8-en-2-one
SMILESC=CCCCCCC(=O)COCC(F)(F)F
InChIInChI=1S/C11H17F3O2/c1-2-3-4-5-6-7-10(15)8-16-9-11(12,13)14/h2H,1,3-9H2
InChIKeyIXSOIHLOEPPBGQ-UHFFFAOYSA-N
XLogP3.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2,2-trifluoroethyl Undec-10-enoate
CID 11482501
2,2,2-Trifluoroethyl tridec-12-enoate
CID 86660266
1,2,2-Trifluoroethyl undec-10-enoate
CID 87373587
2,2,2-Trifluoroethyl non-8-enoate
CID 85862581
1-(2,2,2-Trifluoroethoxy)hept-6-en-2-one
CID 103214140
1-(2,2,3,3-Tetrafluoropropoxy)hept-6-en-2-one
CID 103473676
1-(2,2,2-Trifluoroethoxy)dec-9-en-3-one
CID 107008427
1-(2,2-Difluoroethoxy)dec-9-en-3-one
CID 107008428
1-(2,2,3,3-Tetrafluoropropoxy)non-8-en-2-one
CID 107008460
Ethyl 2-oxonon-8-enoate
CID 55269419
(11Z)-1-oxacyclohexadec-11-en-3-one
CID 66643319
(11E)-1-oxacyclohexadec-11-en-3-one
CID 66643320

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trifluoroethoxy)non-8-en-2-one?
The IUPAC name of 1-(2,2,2-trifluoroethoxy)non-8-en-2-one (CID 107008459) is 1-(2,2,2-trifluoroethoxy)non-8-en-2-one.
What is the SMILES notation for 1-(2,2,2-trifluoroethoxy)non-8-en-2-one?
The canonical SMILES for 1-(2,2,2-trifluoroethoxy)non-8-en-2-one is C=CCCCCCC(=O)COCC(F)(F)F.
What is the InChIKey of 1-(2,2,2-trifluoroethoxy)non-8-en-2-one?
The InChIKey is IXSOIHLOEPPBGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3O2/c1-2-3-4-5-6-7-10(15)8-16-9-11(12,13)14/h2H,1,3-9H2.
What are the key properties of 1-(2,2,2-trifluoroethoxy)non-8-en-2-one?
1-(2,2,2-trifluoroethoxy)non-8-en-2-one has a molecular weight of 238.25 g/mol, XLogP of 3.27, 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)non-8-en-2-one is sourced from PubChem (CID 107008459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).