2-(trifluoromethyl)dec-1-en-3-one

C11H17F3O — CID 10443532

IUPAC2-(trifluoromethyl)dec-1-en-3-one
SMILESC=C(C(=O)CCCCCCC)C(F)(F)F
InChIInChI=1S/C11H17F3O/c1-3-4-5-6-7-8-10(15)9(2)11(12,13)14/h2-8H2,1H3
InChIKeyJOMMIHIBMAFJKD-UHFFFAOYSA-N
MW222.25 g/mol
LogP4.03
Rot. Bonds7

About 2-(trifluoromethyl)dec-1-en-3-one

2-(trifluoromethyl)dec-1-en-3-one (PubChem CID 10443532) has the molecular formula C11H17F3O and a molecular weight of 222.25 g/mol. Its IUPAC name is 2-(trifluoromethyl)dec-1-en-3-one.

Molecular Properties

Compound Name2-(trifluoromethyl)dec-1-en-3-one
PubChem CID10443532
Molecular FormulaC11H17F3O
Molecular Weight222.25 g/mol
Exact Mass222.12
IUPAC Name2-(trifluoromethyl)dec-1-en-3-one
SMILESC=C(C(=O)CCCCCCC)C(F)(F)F
InChIInChI=1S/C11H17F3O/c1-3-4-5-6-7-8-10(15)9(2)11(12,13)14/h2-8H2,1H3
InChIKeyJOMMIHIBMAFJKD-UHFFFAOYSA-N
XLogP4.03
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-Pentyl-1-buten-3-one
CID 62218
2-Nonanone, 3-methylene-
CID 3017847
4-(Difluoromethylidene)-2-methyloct-1-en-3-one
CID 10012699
Cyclododecanone, 2-methylene-
CID 534631
4,4-Difluorotrideca-1,2-dien-6-one
CID 168301382
3-Acetyl-1,2-nonadiene
CID 12616865
5-Methylideneundecan-6-one
CID 13485263
2-Fluorodec-1-EN-3-one
CID 13447962
Methyl 10,10-difluoro-9-decenyl ketone
CID 19915358
5,6,6,7,7-Pentafluoro-2-methylhept-1-en-3-one
CID 23574039
6,6,7,7,8,8,9-Heptafluoro-2-methylnon-1-en-3-one;2-methylpentadec-1-en-3-one;tetrafluoromethane
CID 53775844
1,1,1-Trifluoro-3-methylidenedecane-2,4-dione
CID 89519417

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)dec-1-en-3-one?
The IUPAC name of 2-(trifluoromethyl)dec-1-en-3-one (CID 10443532) is 2-(trifluoromethyl)dec-1-en-3-one.
What is the SMILES notation for 2-(trifluoromethyl)dec-1-en-3-one?
The canonical SMILES for 2-(trifluoromethyl)dec-1-en-3-one is C=C(C(=O)CCCCCCC)C(F)(F)F.
What is the InChIKey of 2-(trifluoromethyl)dec-1-en-3-one?
The InChIKey is JOMMIHIBMAFJKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3O/c1-3-4-5-6-7-8-10(15)9(2)11(12,13)14/h2-8H2,1H3.
What are the key properties of 2-(trifluoromethyl)dec-1-en-3-one?
2-(trifluoromethyl)dec-1-en-3-one has a molecular weight of 222.25 g/mol, XLogP of 4.03, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)dec-1-en-3-one is sourced from PubChem (CID 10443532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).