2-[3-(difluoromethoxy)phenyl]-4-[1-(3-pyrrol-1-ylphenyl)ethenyl]morpholine

C23H22F2N2O2 — CID 156573181

IUPAC2-[3-(difluoromethoxy)phenyl]-4-[1-(3-pyrrol-1-ylphenyl)ethenyl]morpholine
SMILESC=C(c1cccc(-n2cccc2)c1)N1CCOC(c2cccc(OC(F)F)c2)C1
InChIInChI=1S/C23H22F2N2O2/c1-17(18-6-4-8-20(14-18)26-10-2-3-11-26)27-12-13-28-22(16-27)19-7-5-9-21(15-19)29-23(24)25/h2-11,14-15,22-23H,1,12-13,16H2
InChIKeyTZKRQOFKBCADBF-UHFFFAOYSA-N
MW396.44 g/mol
LogP5.12
Rot. Bonds6

About 2-[3-(difluoromethoxy)phenyl]-4-[1-(3-pyrrol-1-ylphenyl)ethenyl]morpholine

2-[3-(difluoromethoxy)phenyl]-4-[1-(3-pyrrol-1-ylphenyl)ethenyl]morpholine (PubChem CID 156573181) has the molecular formula C23H22F2N2O2 and a molecular weight of 396.44 g/mol. Its IUPAC name is 2-[3-(difluoromethoxy)phenyl]-4-[1-(3-pyrrol-1-ylphenyl)ethenyl]morpholine.

Molecular Properties

Compound Name2-[3-(difluoromethoxy)phenyl]-4-[1-(3-pyrrol-1-ylphenyl)ethenyl]morpholine
PubChem CID156573181
Molecular FormulaC23H22F2N2O2
Molecular Weight396.44 g/mol
Exact Mass396.16
IUPAC Name2-[3-(difluoromethoxy)phenyl]-4-[1-(3-pyrrol-1-ylphenyl)ethenyl]morpholine
SMILESC=C(c1cccc(-n2cccc2)c1)N1CCOC(c2cccc(OC(F)F)c2)C1
InChIInChI=1S/C23H22F2N2O2/c1-17(18-6-4-8-20(14-18)26-10-2-3-11-26)27-12-13-28-22(16-27)19-7-5-9-21(15-19)29-23(24)25/h2-11,14-15,22-23H,1,12-13,16H2
InChIKeyTZKRQOFKBCADBF-UHFFFAOYSA-N
XLogP5.12
TPSA26.63 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.44
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[2-[3-(difluoromethoxy)phenyl]morpholin-4-yl]-2-oxoethyl]sulfanylacetic acid
CID 120551759
N-but-3-en-2-yl-2-[3-(difluoromethoxy)phenyl]morpholine-4-carboxamide
CID 75391109
[2-[3-(difluoromethoxy)phenyl]morpholin-4-yl]-(1H-pyrazol-5-yl)methanone
CID 75391938
[2-[3-(difluoromethoxy)phenyl]morpholin-4-yl]-(1,3-thiazol-4-yl)methanone
CID 75391940
3-[[2-[3-(difluoromethoxy)phenyl]morpholin-4-yl]methyl]benzoic acid
CID 122029359
2-[3-(difluoromethoxy)phenyl]-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]morpholine-4-carboxamide
CID 126769237
(2S)-2-[3-(difluoromethoxy)phenyl]-4-(2-pyrazol-1-ylethyl)morpholine
CID 124571996
2-[3-(difluoromethoxy)phenyl]-4-[1-(furan-2-yl)ethyl]morpholine
CID 91650407
(2R)-2-[3-(difluoromethoxy)phenyl]-4-[2-(2-methylpyrazol-3-yl)ethyl]morpholine
CID 124883718
(2S)-2-amino-1-[(2S)-2-(3-methoxyphenyl)morpholin-4-yl]-3-methylbutan-1-one
CID 99852551
1-[2-[4-(difluoromethoxy)phenyl]morpholin-4-yl]-2-hydroxyethanone
CID 136545989
(2R)-2-[3-(difluoromethoxy)phenyl]-4-(4,5-dimethylpyrimidin-2-yl)morpholine
CID 124736073

Frequently Asked Questions

What is the IUPAC name of 2-[3-(difluoromethoxy)phenyl]-4-[1-(3-pyrrol-1-ylphenyl)ethenyl]morpholine?
The IUPAC name of 2-[3-(difluoromethoxy)phenyl]-4-[1-(3-pyrrol-1-ylphenyl)ethenyl]morpholine (CID 156573181) is 2-[3-(difluoromethoxy)phenyl]-4-[1-(3-pyrrol-1-ylphenyl)ethenyl]morpholine.
What is the SMILES notation for 2-[3-(difluoromethoxy)phenyl]-4-[1-(3-pyrrol-1-ylphenyl)ethenyl]morpholine?
The canonical SMILES for 2-[3-(difluoromethoxy)phenyl]-4-[1-(3-pyrrol-1-ylphenyl)ethenyl]morpholine is C=C(c1cccc(-n2cccc2)c1)N1CCOC(c2cccc(OC(F)F)c2)C1.
What is the InChIKey of 2-[3-(difluoromethoxy)phenyl]-4-[1-(3-pyrrol-1-ylphenyl)ethenyl]morpholine?
The InChIKey is TZKRQOFKBCADBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2N2O2/c1-17(18-6-4-8-20(14-18)26-10-2-3-11-26)27-12-13-28-22(16-27)19-7-5-9-21(15-19)29-23(24)25/h2-11,14-15,22-23H,1,12-13,16H2.
What are the key properties of 2-[3-(difluoromethoxy)phenyl]-4-[1-(3-pyrrol-1-ylphenyl)ethenyl]morpholine?
2-[3-(difluoromethoxy)phenyl]-4-[1-(3-pyrrol-1-ylphenyl)ethenyl]morpholine has a molecular weight of 396.44 g/mol, XLogP of 5.12, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(difluoromethoxy)phenyl]-4-[1-(3-pyrrol-1-ylphenyl)ethenyl]morpholine is sourced from PubChem (CID 156573181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).