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

C20H24F3NO3 — CID 166293309

IUPAC[2-(oxan-4-yl)morpholin-4-yl]-[1-[2-(trifluoromethyl)phenyl]cyclopropyl]methanone
SMILESO=C(N1CCOC(C2CCOCC2)C1)C1(c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C20H24F3NO3/c21-20(22,23)16-4-2-1-3-15(16)19(7-8-19)18(25)24-9-12-27-17(13-24)14-5-10-26-11-6-14/h1-4,14,17H,5-13H2
InChIKeyBTPPXFMVNSWJIC-UHFFFAOYSA-N
MW383.41 g/mol
LogP3.39
Rot. Bonds3

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

[2-(oxan-4-yl)morpholin-4-yl]-[1-[2-(trifluoromethyl)phenyl]cyclopropyl]methanone (PubChem CID 166293309) has the molecular formula C20H24F3NO3 and a molecular weight of 383.41 g/mol. Its IUPAC name is [2-(oxan-4-yl)morpholin-4-yl]-[1-[2-(trifluoromethyl)phenyl]cyclopropyl]methanone.

Molecular Properties

Compound Name[2-(oxan-4-yl)morpholin-4-yl]-[1-[2-(trifluoromethyl)phenyl]cyclopropyl]methanone
PubChem CID166293309
Molecular FormulaC20H24F3NO3
Molecular Weight383.41 g/mol
Exact Mass383.17
IUPAC Name[2-(oxan-4-yl)morpholin-4-yl]-[1-[2-(trifluoromethyl)phenyl]cyclopropyl]methanone
SMILESO=C(N1CCOC(C2CCOCC2)C1)C1(c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C20H24F3NO3/c21-20(22,23)16-4-2-1-3-15(16)19(7-8-19)18(25)24-9-12-27-17(13-24)14-5-10-26-11-6-14/h1-4,14,17H,5-13H2
InChIKeyBTPPXFMVNSWJIC-UHFFFAOYSA-N
XLogP3.39
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(oxan-4-yl)morpholin-4-yl]-[1-[2-(trifluoromethyl)phenyl]cyclopropyl]methanone?
The IUPAC name of [2-(oxan-4-yl)morpholin-4-yl]-[1-[2-(trifluoromethyl)phenyl]cyclopropyl]methanone (CID 166293309) is [2-(oxan-4-yl)morpholin-4-yl]-[1-[2-(trifluoromethyl)phenyl]cyclopropyl]methanone.
What is the SMILES notation for [2-(oxan-4-yl)morpholin-4-yl]-[1-[2-(trifluoromethyl)phenyl]cyclopropyl]methanone?
The canonical SMILES for [2-(oxan-4-yl)morpholin-4-yl]-[1-[2-(trifluoromethyl)phenyl]cyclopropyl]methanone is O=C(N1CCOC(C2CCOCC2)C1)C1(c2ccccc2C(F)(F)F)CC1.
What is the InChIKey of [2-(oxan-4-yl)morpholin-4-yl]-[1-[2-(trifluoromethyl)phenyl]cyclopropyl]methanone?
The InChIKey is BTPPXFMVNSWJIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3NO3/c21-20(22,23)16-4-2-1-3-15(16)19(7-8-19)18(25)24-9-12-27-17(13-24)14-5-10-26-11-6-14/h1-4,14,17H,5-13H2.
What are the key properties of [2-(oxan-4-yl)morpholin-4-yl]-[1-[2-(trifluoromethyl)phenyl]cyclopropyl]methanone?
[2-(oxan-4-yl)morpholin-4-yl]-[1-[2-(trifluoromethyl)phenyl]cyclopropyl]methanone has a molecular weight of 383.41 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(oxan-4-yl)morpholin-4-yl]-[1-[2-(trifluoromethyl)phenyl]cyclopropyl]methanone is sourced from PubChem (CID 166293309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).