(E)-1,1,1-trifluorononadec-10-en-2-one

C19H33F3O — CID 5353845

IUPAC(E)-1,1,1-trifluorononadec-10-en-2-one
SMILESCCCCCCCC/C=C/CCCCCCCC(=O)C(F)(F)F
InChIInChI=1S/C19H33F3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(23)19(20,21)22/h9-10H,2-8,11-17H2,1H3/b10-9+
InChIKeySOJGXPSMVNTNQL-MDZDMXLPSA-N
MW334.47 g/mol
LogP7.16
Rot. Bonds15

About (E)-1,1,1-trifluorononadec-10-en-2-one

(E)-1,1,1-trifluorononadec-10-en-2-one (PubChem CID 5353845) has the molecular formula C19H33F3O and a molecular weight of 334.47 g/mol. Its IUPAC name is (E)-1,1,1-trifluorononadec-10-en-2-one.

Molecular Properties

Compound Name(E)-1,1,1-trifluorononadec-10-en-2-one
PubChem CID5353845
Molecular FormulaC19H33F3O
Molecular Weight334.47 g/mol
Exact Mass334.25
IUPAC Name(E)-1,1,1-trifluorononadec-10-en-2-one
SMILESCCCCCCCC/C=C/CCCCCCCC(=O)C(F)(F)F
InChIInChI=1S/C19H33F3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(23)19(20,21)22/h9-10H,2-8,11-17H2,1H3/b10-9+
InChIKeySOJGXPSMVNTNQL-MDZDMXLPSA-N
XLogP7.16
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.47
LogP ≤ 57.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

Civetone
CID 5315941
(6Z,9Z,12Z,15Z)-1,1,1-Trifluoro-6,9,12,15-heneicosatetraen-2-one
CID 5280436
8-Cyclohexadecen-1-one
CID 6365152
5-Cyclohexadecen-1-one
CID 162268
(8Z)-cyclohexadec-8-en-1-one
CID 5362739
Cyclohexadec-8-en-1-one
CID 534634
(Z)-9-cycloheptadecen-1-one
CID 11334208
(5Z)-cyclohexadec-5-en-1-one
CID 5362736
Oleyl trifluoromethyl ketone
CID 9840659
(Z)-11-tetradecenyl trifluoromethyl ketone
CID 14939064
(Z)-6-heneicosen-11-one
CID 5364717
9-Cycloheptadecen-1-one
CID 10954

Frequently Asked Questions

What is the IUPAC name of (E)-1,1,1-trifluorononadec-10-en-2-one?
The IUPAC name of (E)-1,1,1-trifluorononadec-10-en-2-one (CID 5353845) is (E)-1,1,1-trifluorononadec-10-en-2-one.
What is the SMILES notation for (E)-1,1,1-trifluorononadec-10-en-2-one?
The canonical SMILES for (E)-1,1,1-trifluorononadec-10-en-2-one is CCCCCCCC/C=C/CCCCCCCC(=O)C(F)(F)F.
What is the InChIKey of (E)-1,1,1-trifluorononadec-10-en-2-one?
The InChIKey is SOJGXPSMVNTNQL-MDZDMXLPSA-N. The full InChI is InChI=1S/C19H33F3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(23)19(20,21)22/h9-10H,2-8,11-17H2,1H3/b10-9+.
What are the key properties of (E)-1,1,1-trifluorononadec-10-en-2-one?
(E)-1,1,1-trifluorononadec-10-en-2-one has a molecular weight of 334.47 g/mol, XLogP of 7.16, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,1,1-trifluorononadec-10-en-2-one is sourced from PubChem (CID 5353845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).