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

C20H19F2NO2 — CID 110609411

IUPAC[1-(2-fluorophenyl)cyclopropyl]-[2-(2-fluorophenyl)morpholin-4-yl]methanone
SMILESO=C(N1CCOC(c2ccccc2F)C1)C1(c2ccccc2F)CC1
InChIInChI=1S/C20H19F2NO2/c21-16-7-3-1-5-14(16)18-13-23(11-12-25-18)19(24)20(9-10-20)15-6-2-4-8-17(15)22/h1-8,18H,9-13H2
InChIKeyXSVAXEQKPAQDBA-UHFFFAOYSA-N
MW343.37 g/mol
LogP3.60
Rot. Bonds3

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

[1-(2-fluorophenyl)cyclopropyl]-[2-(2-fluorophenyl)morpholin-4-yl]methanone (PubChem CID 110609411) has the molecular formula C20H19F2NO2 and a molecular weight of 343.37 g/mol. Its IUPAC name is [1-(2-fluorophenyl)cyclopropyl]-[2-(2-fluorophenyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name[1-(2-fluorophenyl)cyclopropyl]-[2-(2-fluorophenyl)morpholin-4-yl]methanone
PubChem CID110609411
Molecular FormulaC20H19F2NO2
Molecular Weight343.37 g/mol
Exact Mass343.14
IUPAC Name[1-(2-fluorophenyl)cyclopropyl]-[2-(2-fluorophenyl)morpholin-4-yl]methanone
SMILESO=C(N1CCOC(c2ccccc2F)C1)C1(c2ccccc2F)CC1
InChIInChI=1S/C20H19F2NO2/c21-16-7-3-1-5-14(16)18-13-23(11-12-25-18)19(24)20(9-10-20)15-6-2-4-8-17(15)22/h1-8,18H,9-13H2
InChIKeyXSVAXEQKPAQDBA-UHFFFAOYSA-N
XLogP3.60
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.37
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(2-fluorophenyl)cyclopropyl]-[2-(2-fluorophenyl)morpholin-4-yl]methanone?
The IUPAC name of [1-(2-fluorophenyl)cyclopropyl]-[2-(2-fluorophenyl)morpholin-4-yl]methanone (CID 110609411) is [1-(2-fluorophenyl)cyclopropyl]-[2-(2-fluorophenyl)morpholin-4-yl]methanone.
What is the SMILES notation for [1-(2-fluorophenyl)cyclopropyl]-[2-(2-fluorophenyl)morpholin-4-yl]methanone?
The canonical SMILES for [1-(2-fluorophenyl)cyclopropyl]-[2-(2-fluorophenyl)morpholin-4-yl]methanone is O=C(N1CCOC(c2ccccc2F)C1)C1(c2ccccc2F)CC1.
What is the InChIKey of [1-(2-fluorophenyl)cyclopropyl]-[2-(2-fluorophenyl)morpholin-4-yl]methanone?
The InChIKey is XSVAXEQKPAQDBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2NO2/c21-16-7-3-1-5-14(16)18-13-23(11-12-25-18)19(24)20(9-10-20)15-6-2-4-8-17(15)22/h1-8,18H,9-13H2.
What are the key properties of [1-(2-fluorophenyl)cyclopropyl]-[2-(2-fluorophenyl)morpholin-4-yl]methanone?
[1-(2-fluorophenyl)cyclopropyl]-[2-(2-fluorophenyl)morpholin-4-yl]methanone has a molecular weight of 343.37 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-fluorophenyl)cyclopropyl]-[2-(2-fluorophenyl)morpholin-4-yl]methanone is sourced from PubChem (CID 110609411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).