4-[(6E)-6-(2,2,2-trifluoroethylidene)cyclohexen-1-yl]morpholine

C12H16F3NO — CID 155737880

IUPAC4-[(6E)-6-(2,2,2-trifluoroethylidene)cyclohexen-1-yl]morpholine
SMILESFC(F)(F)/C=C1\CCCC=C1N1CCOCC1
InChIInChI=1S/C12H16F3NO/c13-12(14,15)9-10-3-1-2-4-11(10)16-5-7-17-8-6-16/h4,9H,1-3,5-8H2/b10-9+
InChIKeySGECMZMYFUGDEF-MDZDMXLPSA-N
MW247.26 g/mol
LogP2.88
Rot. Bonds1

About 4-[(6E)-6-(2,2,2-trifluoroethylidene)cyclohexen-1-yl]morpholine

4-[(6E)-6-(2,2,2-trifluoroethylidene)cyclohexen-1-yl]morpholine (PubChem CID 155737880) has the molecular formula C12H16F3NO and a molecular weight of 247.26 g/mol. Its IUPAC name is 4-[(6E)-6-(2,2,2-trifluoroethylidene)cyclohexen-1-yl]morpholine.

Molecular Properties

Compound Name4-[(6E)-6-(2,2,2-trifluoroethylidene)cyclohexen-1-yl]morpholine
PubChem CID155737880
Molecular FormulaC12H16F3NO
Molecular Weight247.26 g/mol
Exact Mass247.12
IUPAC Name4-[(6E)-6-(2,2,2-trifluoroethylidene)cyclohexen-1-yl]morpholine
SMILESFC(F)(F)/C=C1\CCCC=C1N1CCOCC1
InChIInChI=1S/C12H16F3NO/c13-12(14,15)9-10-3-1-2-4-11(10)16-5-7-17-8-6-16/h4,9H,1-3,5-8H2/b10-9+
InChIKeySGECMZMYFUGDEF-MDZDMXLPSA-N
XLogP2.88
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Morpholine, 4-(1-cyclohexen-1-yl)-
CID 69589
4-(4,4-Difluorocyclohexen-1-yl)morpholine
CID 70937775
4-[1-(4-Fluorocyclohexa-1,3-dien-1-yl)propyl]morpholine
CID 117943608
4-[2-(Trifluoromethyl)cyclohexen-1-yl]morpholine
CID 121327525
4-[(2E,4E)-6-methyl-5-(trifluoromethyl)hepta-2,4,6-trien-3-yl]morpholine
CID 144253116
4-[(6E)-6-(1-fluoroethylidene)cyclohexen-1-yl]morpholine
CID 146608601
4-(Cyclohexen-1-yl)-2,6-bis(trifluoromethyl)morpholine
CID 152896447
4-[6-(1,1,1,3,3,3-Hexafluoropropan-2-ylidene)cyclohexen-1-yl]morpholine
CID 155737878
4-(2-Fluoro-4-hexa-1,5-dien-2-ylcyclohexa-1,3-dien-1-yl)morpholine
CID 166796477
4-[(E,4E)-4-(1-fluoroethylidene)hept-2-en-3-yl]morpholine
CID 166838533
N-[(Z)-(3-chloro-6-methylidene-5-morpholin-4-ylcyclohexa-2,4-dien-1-ylidene)methyl]-1,1-difluoro-N-methylmethanamine
CID 170236571
4-[4-(Trifluoromethyl)cyclohexen-1-yl]morpholine
CID 171650147

Frequently Asked Questions

What is the IUPAC name of 4-[(6E)-6-(2,2,2-trifluoroethylidene)cyclohexen-1-yl]morpholine?
The IUPAC name of 4-[(6E)-6-(2,2,2-trifluoroethylidene)cyclohexen-1-yl]morpholine (CID 155737880) is 4-[(6E)-6-(2,2,2-trifluoroethylidene)cyclohexen-1-yl]morpholine.
What is the SMILES notation for 4-[(6E)-6-(2,2,2-trifluoroethylidene)cyclohexen-1-yl]morpholine?
The canonical SMILES for 4-[(6E)-6-(2,2,2-trifluoroethylidene)cyclohexen-1-yl]morpholine is FC(F)(F)/C=C1\CCCC=C1N1CCOCC1.
What is the InChIKey of 4-[(6E)-6-(2,2,2-trifluoroethylidene)cyclohexen-1-yl]morpholine?
The InChIKey is SGECMZMYFUGDEF-MDZDMXLPSA-N. The full InChI is InChI=1S/C12H16F3NO/c13-12(14,15)9-10-3-1-2-4-11(10)16-5-7-17-8-6-16/h4,9H,1-3,5-8H2/b10-9+.
What are the key properties of 4-[(6E)-6-(2,2,2-trifluoroethylidene)cyclohexen-1-yl]morpholine?
4-[(6E)-6-(2,2,2-trifluoroethylidene)cyclohexen-1-yl]morpholine has a molecular weight of 247.26 g/mol, XLogP of 2.88, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6E)-6-(2,2,2-trifluoroethylidene)cyclohexen-1-yl]morpholine is sourced from PubChem (CID 155737880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).