(5Z,8Z,11Z,14Z,17Z,20Z)-1,1,1-trifluorotricosa-5,8,11,14,17,20-hexaen-2-one

C23H31F3O — CID 10500003

IUPAC(5Z,8Z,11Z,14Z,17Z,20Z)-1,1,1-trifluorotricosa-5,8,11,14,17,20-hexaen-2-one
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)C(F)(F)F
InChIInChI=1S/C23H31F3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(27)23(24,25)26/h3-4,6-7,9-10,12-13,15-16,18-19H,2,5,8,11,14,17,20-21H2,1H3/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-
InChIKeySYODIJOEBOGRSG-KUBAVDMBSA-N
MW380.49 g/mol
LogP7.60
Rot. Bonds14

About (5Z,8Z,11Z,14Z,17Z,20Z)-1,1,1-trifluorotricosa-5,8,11,14,17,20-hexaen-2-one

(5Z,8Z,11Z,14Z,17Z,20Z)-1,1,1-trifluorotricosa-5,8,11,14,17,20-hexaen-2-one (PubChem CID 10500003) has the molecular formula C23H31F3O and a molecular weight of 380.49 g/mol. Its IUPAC name is (5Z,8Z,11Z,14Z,17Z,20Z)-1,1,1-trifluorotricosa-5,8,11,14,17,20-hexaen-2-one.

Molecular Properties

Compound Name(5Z,8Z,11Z,14Z,17Z,20Z)-1,1,1-trifluorotricosa-5,8,11,14,17,20-hexaen-2-one
PubChem CID10500003
Molecular FormulaC23H31F3O
Molecular Weight380.49 g/mol
Exact Mass380.23
IUPAC Name(5Z,8Z,11Z,14Z,17Z,20Z)-1,1,1-trifluorotricosa-5,8,11,14,17,20-hexaen-2-one
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)C(F)(F)F
InChIInChI=1S/C23H31F3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(27)23(24,25)26/h3-4,6-7,9-10,12-13,15-16,18-19H,2,5,8,11,14,17,20-21H2,1H3/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-
InChIKeySYODIJOEBOGRSG-KUBAVDMBSA-N
XLogP7.60
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.49
LogP ≤ 57.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5Z,8Z,11Z,14Z,17Z,20Z)-1,1,1-trifluorotricosa-5,8,11,14,17,20-hexaen-2-one?
The IUPAC name of (5Z,8Z,11Z,14Z,17Z,20Z)-1,1,1-trifluorotricosa-5,8,11,14,17,20-hexaen-2-one (CID 10500003) is (5Z,8Z,11Z,14Z,17Z,20Z)-1,1,1-trifluorotricosa-5,8,11,14,17,20-hexaen-2-one.
What is the SMILES notation for (5Z,8Z,11Z,14Z,17Z,20Z)-1,1,1-trifluorotricosa-5,8,11,14,17,20-hexaen-2-one?
The canonical SMILES for (5Z,8Z,11Z,14Z,17Z,20Z)-1,1,1-trifluorotricosa-5,8,11,14,17,20-hexaen-2-one is CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)C(F)(F)F.
What is the InChIKey of (5Z,8Z,11Z,14Z,17Z,20Z)-1,1,1-trifluorotricosa-5,8,11,14,17,20-hexaen-2-one?
The InChIKey is SYODIJOEBOGRSG-KUBAVDMBSA-N. The full InChI is InChI=1S/C23H31F3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(27)23(24,25)26/h3-4,6-7,9-10,12-13,15-16,18-19H,2,5,8,11,14,17,20-21H2,1H3/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-.
What are the key properties of (5Z,8Z,11Z,14Z,17Z,20Z)-1,1,1-trifluorotricosa-5,8,11,14,17,20-hexaen-2-one?
(5Z,8Z,11Z,14Z,17Z,20Z)-1,1,1-trifluorotricosa-5,8,11,14,17,20-hexaen-2-one has a molecular weight of 380.49 g/mol, XLogP of 7.60, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,8Z,11Z,14Z,17Z,20Z)-1,1,1-trifluorotricosa-5,8,11,14,17,20-hexaen-2-one is sourced from PubChem (CID 10500003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).