[1-(4-fluorophenyl)cyclopropyl]-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone

C21H19F4NO2 — CID 56763895

IUPAC[1-(4-fluorophenyl)cyclopropyl]-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone
SMILESO=C(N1CCOC(c2ccc(C(F)(F)F)cc2)C1)C1(c2ccc(F)cc2)CC1
InChIInChI=1S/C21H19F4NO2/c22-17-7-5-15(6-8-17)20(9-10-20)19(27)26-11-12-28-18(13-26)14-1-3-16(4-2-14)21(23,24)25/h1-8,18H,9-13H2
InChIKeyCYAUKQORZPQLHJ-UHFFFAOYSA-N
MW393.38 g/mol
LogP4.48
Rot. Bonds3

About [1-(4-fluorophenyl)cyclopropyl]-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone

[1-(4-fluorophenyl)cyclopropyl]-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone (PubChem CID 56763895) has the molecular formula C21H19F4NO2 and a molecular weight of 393.38 g/mol. Its IUPAC name is [1-(4-fluorophenyl)cyclopropyl]-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone.

Molecular Properties

Compound Name[1-(4-fluorophenyl)cyclopropyl]-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone
PubChem CID56763895
Molecular FormulaC21H19F4NO2
Molecular Weight393.38 g/mol
Exact Mass393.14
IUPAC Name[1-(4-fluorophenyl)cyclopropyl]-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone
SMILESO=C(N1CCOC(c2ccc(C(F)(F)F)cc2)C1)C1(c2ccc(F)cc2)CC1
InChIInChI=1S/C21H19F4NO2/c22-17-7-5-15(6-8-17)20(9-10-20)19(27)26-11-12-28-18(13-26)14-1-3-16(4-2-14)21(23,24)25/h1-8,18H,9-13H2
InChIKeyCYAUKQORZPQLHJ-UHFFFAOYSA-N
XLogP4.48
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.38
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(4-fluorophenyl)cyclopropyl]-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone?
The IUPAC name of [1-(4-fluorophenyl)cyclopropyl]-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone (CID 56763895) is [1-(4-fluorophenyl)cyclopropyl]-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone.
What is the SMILES notation for [1-(4-fluorophenyl)cyclopropyl]-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone?
The canonical SMILES for [1-(4-fluorophenyl)cyclopropyl]-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone is O=C(N1CCOC(c2ccc(C(F)(F)F)cc2)C1)C1(c2ccc(F)cc2)CC1.
What is the InChIKey of [1-(4-fluorophenyl)cyclopropyl]-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone?
The InChIKey is CYAUKQORZPQLHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F4NO2/c22-17-7-5-15(6-8-17)20(9-10-20)19(27)26-11-12-28-18(13-26)14-1-3-16(4-2-14)21(23,24)25/h1-8,18H,9-13H2.
What are the key properties of [1-(4-fluorophenyl)cyclopropyl]-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone?
[1-(4-fluorophenyl)cyclopropyl]-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone has a molecular weight of 393.38 g/mol, XLogP of 4.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluorophenyl)cyclopropyl]-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone is sourced from PubChem (CID 56763895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).