4-[(E,1R)-4,4,4-trifluoro-1-phenylbut-2-enyl]morpholine

C14H16F3NO — CID 101499208

IUPAC4-[(E,1R)-4,4,4-trifluoro-1-phenylbut-2-enyl]morpholine
SMILESFC(F)(F)/C=C/[C@H](c1ccccc1)N1CCOCC1
InChIInChI=1S/C14H16F3NO/c15-14(16,17)7-6-13(12-4-2-1-3-5-12)18-8-10-19-11-9-18/h1-7,13H,8-11H2/b7-6+/t13-/m1/s1
InChIKeyDCBTULMHNZYORE-KTRBRXNASA-N
MW271.28 g/mol
LogP3.18
Rot. Bonds3

About 4-[(E,1R)-4,4,4-trifluoro-1-phenylbut-2-enyl]morpholine

4-[(E,1R)-4,4,4-trifluoro-1-phenylbut-2-enyl]morpholine (PubChem CID 101499208) has the molecular formula C14H16F3NO and a molecular weight of 271.28 g/mol. Its IUPAC name is 4-[(E,1R)-4,4,4-trifluoro-1-phenylbut-2-enyl]morpholine.

Molecular Properties

Compound Name4-[(E,1R)-4,4,4-trifluoro-1-phenylbut-2-enyl]morpholine
PubChem CID101499208
Molecular FormulaC14H16F3NO
Molecular Weight271.28 g/mol
Exact Mass271.12
IUPAC Name4-[(E,1R)-4,4,4-trifluoro-1-phenylbut-2-enyl]morpholine
SMILESFC(F)(F)/C=C/[C@H](c1ccccc1)N1CCOCC1
InChIInChI=1S/C14H16F3NO/c15-14(16,17)7-6-13(12-4-2-1-3-5-12)18-8-10-19-11-9-18/h1-7,13H,8-11H2/b7-6+/t13-/m1/s1
InChIKeyDCBTULMHNZYORE-KTRBRXNASA-N
XLogP3.18
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Trifenmorph
CID 14993
Morpholino(phenyl)acetonitrile
CID 85812
4-(3-Phenylpropyl)morpholine
CID 782728
Thiobenzoylmorpholine
CID 16244
10-Benzyl-1,4,7-trioxa-10-azacyclododecane
CID 766194
3-Morpholin-4-ylmethyl-benzylamine
CID 6484182
4-Benzylmorpholine
CID 249546
2-(4-Fluorophenyl)-2-(morpholin-4-yl)ethan-1-amine
CID 4352885
Morpholine, 4-(2-phenylethyl)-
CID 411956
4-[(4-Fluorophenyl)methyl]-2-(2-phenylethyl)morpholine
CID 72737750
4-Benzylmorpholine hydrochloride
CID 2849468
3-(2,4-difluorophenyl)-N-methyl-3-morpholin-4-ylpropan-1-amine
CID 54765676

Frequently Asked Questions

What is the IUPAC name of 4-[(E,1R)-4,4,4-trifluoro-1-phenylbut-2-enyl]morpholine?
The IUPAC name of 4-[(E,1R)-4,4,4-trifluoro-1-phenylbut-2-enyl]morpholine (CID 101499208) is 4-[(E,1R)-4,4,4-trifluoro-1-phenylbut-2-enyl]morpholine.
What is the SMILES notation for 4-[(E,1R)-4,4,4-trifluoro-1-phenylbut-2-enyl]morpholine?
The canonical SMILES for 4-[(E,1R)-4,4,4-trifluoro-1-phenylbut-2-enyl]morpholine is FC(F)(F)/C=C/[C@H](c1ccccc1)N1CCOCC1.
What is the InChIKey of 4-[(E,1R)-4,4,4-trifluoro-1-phenylbut-2-enyl]morpholine?
The InChIKey is DCBTULMHNZYORE-KTRBRXNASA-N. The full InChI is InChI=1S/C14H16F3NO/c15-14(16,17)7-6-13(12-4-2-1-3-5-12)18-8-10-19-11-9-18/h1-7,13H,8-11H2/b7-6+/t13-/m1/s1.
What are the key properties of 4-[(E,1R)-4,4,4-trifluoro-1-phenylbut-2-enyl]morpholine?
4-[(E,1R)-4,4,4-trifluoro-1-phenylbut-2-enyl]morpholine has a molecular weight of 271.28 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E,1R)-4,4,4-trifluoro-1-phenylbut-2-enyl]morpholine is sourced from PubChem (CID 101499208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).