(11E)-14-(trifluoromethyl)-1-azacyclotetradec-11-en-2-one

C14H22F3NO — CID 11196685

IUPAC(11E)-14-(trifluoromethyl)-1-azacyclotetradec-11-en-2-one
SMILESO=C1CCCCCCCC/C=C/CC(C(F)(F)F)N1
InChIInChI=1S/C14H22F3NO/c15-14(16,17)12-10-8-6-4-2-1-3-5-7-9-11-13(19)18-12/h6,8,12H,1-5,7,9-11H2,(H,18,19)/b8-6+
InChIKeyZKCQOMAXBQKXLZ-SOFGYWHQSA-N
MW277.33 g/mol
LogP4.11
Rot. Bonds

About (11E)-14-(trifluoromethyl)-1-azacyclotetradec-11-en-2-one

(11E)-14-(trifluoromethyl)-1-azacyclotetradec-11-en-2-one (PubChem CID 11196685) has the molecular formula C14H22F3NO and a molecular weight of 277.33 g/mol. Its IUPAC name is (11E)-14-(trifluoromethyl)-1-azacyclotetradec-11-en-2-one.

Molecular Properties

Compound Name(11E)-14-(trifluoromethyl)-1-azacyclotetradec-11-en-2-one
PubChem CID11196685
Molecular FormulaC14H22F3NO
Molecular Weight277.33 g/mol
Exact Mass277.17
IUPAC Name(11E)-14-(trifluoromethyl)-1-azacyclotetradec-11-en-2-one
SMILESO=C1CCCCCCCC/C=C/CC(C(F)(F)F)N1
InChIInChI=1S/C14H22F3NO/c15-14(16,17)12-10-8-6-4-2-1-3-5-7-9-11-13(19)18-12/h6,8,12H,1-5,7,9-11H2,(H,18,19)/b8-6+
InChIKeyZKCQOMAXBQKXLZ-SOFGYWHQSA-N
XLogP4.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 54.11
H-Bond Donors ≤ 51
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 (11E)-14-(trifluoromethyl)-1-azacyclotetradec-11-en-2-one?
The IUPAC name of (11E)-14-(trifluoromethyl)-1-azacyclotetradec-11-en-2-one (CID 11196685) is (11E)-14-(trifluoromethyl)-1-azacyclotetradec-11-en-2-one.
What is the SMILES notation for (11E)-14-(trifluoromethyl)-1-azacyclotetradec-11-en-2-one?
The canonical SMILES for (11E)-14-(trifluoromethyl)-1-azacyclotetradec-11-en-2-one is O=C1CCCCCCCC/C=C/CC(C(F)(F)F)N1.
What is the InChIKey of (11E)-14-(trifluoromethyl)-1-azacyclotetradec-11-en-2-one?
The InChIKey is ZKCQOMAXBQKXLZ-SOFGYWHQSA-N. The full InChI is InChI=1S/C14H22F3NO/c15-14(16,17)12-10-8-6-4-2-1-3-5-7-9-11-13(19)18-12/h6,8,12H,1-5,7,9-11H2,(H,18,19)/b8-6+.
What are the key properties of (11E)-14-(trifluoromethyl)-1-azacyclotetradec-11-en-2-one?
(11E)-14-(trifluoromethyl)-1-azacyclotetradec-11-en-2-one has a molecular weight of 277.33 g/mol, XLogP of 4.11, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (11E)-14-(trifluoromethyl)-1-azacyclotetradec-11-en-2-one is sourced from PubChem (CID 11196685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).