4-[[1-[[(1R,6R)-6-(trifluoromethyl)cyclohex-3-en-1-yl]methyl]imidazol-2-yl]methyl]morpholine

C16H22F3N3O — CID 166274514

IUPAC4-[[1-[[(1R,6R)-6-(trifluoromethyl)cyclohex-3-en-1-yl]methyl]imidazol-2-yl]methyl]morpholine
SMILESFC(F)(F)[C@@H]1CC=CC[C@H]1Cn1ccnc1CN1CCOCC1
InChIInChI=1S/C16H22F3N3O/c17-16(18,19)14-4-2-1-3-13(14)11-22-6-5-20-15(22)12-21-7-9-23-10-8-21/h1-2,5-6,13-14H,3-4,7-12H2/t13-,14+/m0/s1
InChIKeyHZCFSAMBTDPHNZ-UONOGXRCSA-N
MW329.37 g/mol
LogP2.86
Rot. Bonds4

About 4-[[1-[[(1R,6R)-6-(trifluoromethyl)cyclohex-3-en-1-yl]methyl]imidazol-2-yl]methyl]morpholine

4-[[1-[[(1R,6R)-6-(trifluoromethyl)cyclohex-3-en-1-yl]methyl]imidazol-2-yl]methyl]morpholine (PubChem CID 166274514) has the molecular formula C16H22F3N3O and a molecular weight of 329.37 g/mol. Its IUPAC name is 4-[[1-[[(1R,6R)-6-(trifluoromethyl)cyclohex-3-en-1-yl]methyl]imidazol-2-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[1-[[(1R,6R)-6-(trifluoromethyl)cyclohex-3-en-1-yl]methyl]imidazol-2-yl]methyl]morpholine
PubChem CID166274514
Molecular FormulaC16H22F3N3O
Molecular Weight329.37 g/mol
Exact Mass329.17
IUPAC Name4-[[1-[[(1R,6R)-6-(trifluoromethyl)cyclohex-3-en-1-yl]methyl]imidazol-2-yl]methyl]morpholine
SMILESFC(F)(F)[C@@H]1CC=CC[C@H]1Cn1ccnc1CN1CCOCC1
InChIInChI=1S/C16H22F3N3O/c17-16(18,19)14-4-2-1-3-13(14)11-22-6-5-20-15(22)12-21-7-9-23-10-8-21/h1-2,5-6,13-14H,3-4,7-12H2/t13-,14+/m0/s1
InChIKeyHZCFSAMBTDPHNZ-UONOGXRCSA-N
XLogP2.86
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 4-[[1-[[(1R,6R)-6-(trifluoromethyl)cyclohex-3-en-1-yl]methyl]imidazol-2-yl]methyl]morpholine?
The IUPAC name of 4-[[1-[[(1R,6R)-6-(trifluoromethyl)cyclohex-3-en-1-yl]methyl]imidazol-2-yl]methyl]morpholine (CID 166274514) is 4-[[1-[[(1R,6R)-6-(trifluoromethyl)cyclohex-3-en-1-yl]methyl]imidazol-2-yl]methyl]morpholine.
What is the SMILES notation for 4-[[1-[[(1R,6R)-6-(trifluoromethyl)cyclohex-3-en-1-yl]methyl]imidazol-2-yl]methyl]morpholine?
The canonical SMILES for 4-[[1-[[(1R,6R)-6-(trifluoromethyl)cyclohex-3-en-1-yl]methyl]imidazol-2-yl]methyl]morpholine is FC(F)(F)[C@@H]1CC=CC[C@H]1Cn1ccnc1CN1CCOCC1.
What is the InChIKey of 4-[[1-[[(1R,6R)-6-(trifluoromethyl)cyclohex-3-en-1-yl]methyl]imidazol-2-yl]methyl]morpholine?
The InChIKey is HZCFSAMBTDPHNZ-UONOGXRCSA-N. The full InChI is InChI=1S/C16H22F3N3O/c17-16(18,19)14-4-2-1-3-13(14)11-22-6-5-20-15(22)12-21-7-9-23-10-8-21/h1-2,5-6,13-14H,3-4,7-12H2/t13-,14+/m0/s1.
What are the key properties of 4-[[1-[[(1R,6R)-6-(trifluoromethyl)cyclohex-3-en-1-yl]methyl]imidazol-2-yl]methyl]morpholine?
4-[[1-[[(1R,6R)-6-(trifluoromethyl)cyclohex-3-en-1-yl]methyl]imidazol-2-yl]methyl]morpholine has a molecular weight of 329.37 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[[(1R,6R)-6-(trifluoromethyl)cyclohex-3-en-1-yl]methyl]imidazol-2-yl]methyl]morpholine is sourced from PubChem (CID 166274514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).