4-[1-[4-(trifluoromethyl)phenyl]ethenyl]morpholine

C13H14F3NO — CID 46218245

IUPAC4-[1-[4-(trifluoromethyl)phenyl]ethenyl]morpholine
SMILESC=C(c1ccc(C(F)(F)F)cc1)N1CCOCC1
InChIInChI=1S/C13H14F3NO/c1-10(17-6-8-18-9-7-17)11-2-4-12(5-3-11)13(14,15)16/h2-5H,1,6-9H2
InChIKeySBGBRUZLCCTRSQ-UHFFFAOYSA-N
MW257.25 g/mol
LogP3.01
Rot. Bonds2

About 4-[1-[4-(trifluoromethyl)phenyl]ethenyl]morpholine

4-[1-[4-(trifluoromethyl)phenyl]ethenyl]morpholine (PubChem CID 46218245) has the molecular formula C13H14F3NO and a molecular weight of 257.25 g/mol. Its IUPAC name is 4-[1-[4-(trifluoromethyl)phenyl]ethenyl]morpholine.

Molecular Properties

Compound Name4-[1-[4-(trifluoromethyl)phenyl]ethenyl]morpholine
PubChem CID46218245
Molecular FormulaC13H14F3NO
Molecular Weight257.25 g/mol
Exact Mass257.10
IUPAC Name4-[1-[4-(trifluoromethyl)phenyl]ethenyl]morpholine
SMILESC=C(c1ccc(C(F)(F)F)cc1)N1CCOCC1
InChIInChI=1S/C13H14F3NO/c1-10(17-6-8-18-9-7-17)11-2-4-12(5-3-11)13(14,15)16/h2-5H,1,6-9H2
InChIKeySBGBRUZLCCTRSQ-UHFFFAOYSA-N
XLogP3.01
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-((Morpholin-4-yl)methyl)benzonitrile
CID 216864
4-Benzylmorpholine
CID 249546
4-Benzylmorpholine hydrochloride
CID 2849468
4-[[4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]phenyl]methyl]morpholine
CID 118714433
(Z)-3-(4-fluorophenyl)-3-morpholin-4-ylprop-2-enenitrile
CID 2410071
4-(2-Fluorobenzyl)morpholine
CID 783642
4-(3-Fluorobenzyl)morpholine
CID 783756
Stk221455
CID 875790
4-(1-Phenylbutyl)morpholine--hydrogen chloride (1/1)
CID 3057372
4-(1-Phenylethyl)morpholine--hydrogen chloride (1/1)
CID 3057369
4-(1-Phenylvinyl)morpholine
CID 11074188
[4-(Morpholin-4-ylmethyl)phenyl]methanamine
CID 2795501

Frequently Asked Questions

What is the IUPAC name of 4-[1-[4-(trifluoromethyl)phenyl]ethenyl]morpholine?
The IUPAC name of 4-[1-[4-(trifluoromethyl)phenyl]ethenyl]morpholine (CID 46218245) is 4-[1-[4-(trifluoromethyl)phenyl]ethenyl]morpholine.
What is the SMILES notation for 4-[1-[4-(trifluoromethyl)phenyl]ethenyl]morpholine?
The canonical SMILES for 4-[1-[4-(trifluoromethyl)phenyl]ethenyl]morpholine is C=C(c1ccc(C(F)(F)F)cc1)N1CCOCC1.
What is the InChIKey of 4-[1-[4-(trifluoromethyl)phenyl]ethenyl]morpholine?
The InChIKey is SBGBRUZLCCTRSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3NO/c1-10(17-6-8-18-9-7-17)11-2-4-12(5-3-11)13(14,15)16/h2-5H,1,6-9H2.
What are the key properties of 4-[1-[4-(trifluoromethyl)phenyl]ethenyl]morpholine?
4-[1-[4-(trifluoromethyl)phenyl]ethenyl]morpholine has a molecular weight of 257.25 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[4-(trifluoromethyl)phenyl]ethenyl]morpholine is sourced from PubChem (CID 46218245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).