1-(2,2,3,3-tetrafluoropropoxy)non-8-en-2-one

C12H18F4O2 — CID 107008460

IUPAC1-(2,2,3,3-tetrafluoropropoxy)non-8-en-2-one
SMILESC=CCCCCCC(=O)COCC(F)(F)C(F)F
InChIInChI=1S/C12H18F4O2/c1-2-3-4-5-6-7-10(17)8-18-9-12(15,16)11(13)14/h2,11H,1,3-9H2
InChIKeyPZZHGZMHKJTLPF-UHFFFAOYSA-N
MW270.27 g/mol
LogP3.61
Rot. Bonds11

About 1-(2,2,3,3-tetrafluoropropoxy)non-8-en-2-one

1-(2,2,3,3-tetrafluoropropoxy)non-8-en-2-one (PubChem CID 107008460) has the molecular formula C12H18F4O2 and a molecular weight of 270.27 g/mol. Its IUPAC name is 1-(2,2,3,3-tetrafluoropropoxy)non-8-en-2-one.

Molecular Properties

Compound Name1-(2,2,3,3-tetrafluoropropoxy)non-8-en-2-one
PubChem CID107008460
Molecular FormulaC12H18F4O2
Molecular Weight270.27 g/mol
Exact Mass270.12
IUPAC Name1-(2,2,3,3-tetrafluoropropoxy)non-8-en-2-one
SMILESC=CCCCCCC(=O)COCC(F)(F)C(F)F
InChIInChI=1S/C12H18F4O2/c1-2-3-4-5-6-7-10(17)8-18-9-12(15,16)11(13)14/h2,11H,1,3-9H2
InChIKeyPZZHGZMHKJTLPF-UHFFFAOYSA-N
XLogP3.61
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.27
LogP ≤ 53.61
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'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

1,3,3,3-Tetrafluoropropyl undec-10-enoate
CID 141514246
1,1,1,3,3,3-Hexafluoropropan-2-yl non-8-enoate
CID 85862586
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-(2,2,2-Trifluoroethoxy)non-8-en-2-one
CID 107008459
4,4,5,5,5-Pentafluoropentyl non-8-enoate
CID 150914176
3,3,4,4,5,5,6,6,6-Nonafluorohexyl non-8-enoate
CID 161478216
(11Z)-1-oxacyclohexadec-11-en-3-one
CID 66643319
(11E)-1-oxacyclohexadec-11-en-3-one
CID 66643320
1-Oxacyclohexadec-11-en-3-one
CID 66643321

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,3,3-tetrafluoropropoxy)non-8-en-2-one?
The IUPAC name of 1-(2,2,3,3-tetrafluoropropoxy)non-8-en-2-one (CID 107008460) is 1-(2,2,3,3-tetrafluoropropoxy)non-8-en-2-one.
What is the SMILES notation for 1-(2,2,3,3-tetrafluoropropoxy)non-8-en-2-one?
The canonical SMILES for 1-(2,2,3,3-tetrafluoropropoxy)non-8-en-2-one is C=CCCCCCC(=O)COCC(F)(F)C(F)F.
What is the InChIKey of 1-(2,2,3,3-tetrafluoropropoxy)non-8-en-2-one?
The InChIKey is PZZHGZMHKJTLPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F4O2/c1-2-3-4-5-6-7-10(17)8-18-9-12(15,16)11(13)14/h2,11H,1,3-9H2.
What are the key properties of 1-(2,2,3,3-tetrafluoropropoxy)non-8-en-2-one?
1-(2,2,3,3-tetrafluoropropoxy)non-8-en-2-one has a molecular weight of 270.27 g/mol, XLogP of 3.61, 11 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)non-8-en-2-one is sourced from PubChem (CID 107008460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).