4-[[6-(trifluoromethyl)cyclohexa-2,4-dien-1-ylidene]methyl]morpholine

C12H14F3NO — CID 141330355

IUPAC4-[[6-(trifluoromethyl)cyclohexa-2,4-dien-1-ylidene]methyl]morpholine
SMILESFC(F)(F)C1C=CC=CC1=CN1CCOCC1
InChIInChI=1S/C12H14F3NO/c13-12(14,15)11-4-2-1-3-10(11)9-16-5-7-17-8-6-16/h1-4,9,11H,5-8H2
InChIKeySHKIBLWAICJKJE-UHFFFAOYSA-N
MW245.24 g/mol
LogP2.51
Rot. Bonds1

About 4-[[6-(trifluoromethyl)cyclohexa-2,4-dien-1-ylidene]methyl]morpholine

4-[[6-(trifluoromethyl)cyclohexa-2,4-dien-1-ylidene]methyl]morpholine (PubChem CID 141330355) has the molecular formula C12H14F3NO and a molecular weight of 245.24 g/mol. Its IUPAC name is 4-[[6-(trifluoromethyl)cyclohexa-2,4-dien-1-ylidene]methyl]morpholine.

Molecular Properties

Compound Name4-[[6-(trifluoromethyl)cyclohexa-2,4-dien-1-ylidene]methyl]morpholine
PubChem CID141330355
Molecular FormulaC12H14F3NO
Molecular Weight245.24 g/mol
Exact Mass245.10
IUPAC Name4-[[6-(trifluoromethyl)cyclohexa-2,4-dien-1-ylidene]methyl]morpholine
SMILESFC(F)(F)C1C=CC=CC1=CN1CCOCC1
InChIInChI=1S/C12H14F3NO/c13-12(14,15)11-4-2-1-3-10(11)9-16-5-7-17-8-6-16/h1-4,9,11H,5-8H2
InChIKeySHKIBLWAICJKJE-UHFFFAOYSA-N
XLogP2.51
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[[6-(trifluoromethyl)cyclohexa-2,4-dien-1-ylidene]methyl]morpholine?
The IUPAC name of 4-[[6-(trifluoromethyl)cyclohexa-2,4-dien-1-ylidene]methyl]morpholine (CID 141330355) is 4-[[6-(trifluoromethyl)cyclohexa-2,4-dien-1-ylidene]methyl]morpholine.
What is the SMILES notation for 4-[[6-(trifluoromethyl)cyclohexa-2,4-dien-1-ylidene]methyl]morpholine?
The canonical SMILES for 4-[[6-(trifluoromethyl)cyclohexa-2,4-dien-1-ylidene]methyl]morpholine is FC(F)(F)C1C=CC=CC1=CN1CCOCC1.
What is the InChIKey of 4-[[6-(trifluoromethyl)cyclohexa-2,4-dien-1-ylidene]methyl]morpholine?
The InChIKey is SHKIBLWAICJKJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO/c13-12(14,15)11-4-2-1-3-10(11)9-16-5-7-17-8-6-16/h1-4,9,11H,5-8H2.
What are the key properties of 4-[[6-(trifluoromethyl)cyclohexa-2,4-dien-1-ylidene]methyl]morpholine?
4-[[6-(trifluoromethyl)cyclohexa-2,4-dien-1-ylidene]methyl]morpholine has a molecular weight of 245.24 g/mol, XLogP of 2.51, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(trifluoromethyl)cyclohexa-2,4-dien-1-ylidene]methyl]morpholine is sourced from PubChem (CID 141330355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).