(4-chloro-2,3-difluorophenyl)-morpholin-4-ylmethanone

C11H10ClF2NO2 — CID 1297149

IUPAC(4-chloro-2,3-difluorophenyl)-morpholin-4-ylmethanone
SMILESO=C(c1ccc(Cl)c(F)c1F)N1CCOCC1
InChIInChI=1S/C11H10ClF2NO2/c12-8-2-1-7(9(13)10(8)14)11(16)15-3-5-17-6-4-15/h1-2H,3-6H2
InChIKeyASRFYYOEVMAQID-UHFFFAOYSA-N
MW261.65 g/mol
LogP2.09
Rot. Bonds1

About (4-chloro-2,3-difluorophenyl)-morpholin-4-ylmethanone

(4-chloro-2,3-difluorophenyl)-morpholin-4-ylmethanone (PubChem CID 1297149) has the molecular formula C11H10ClF2NO2 and a molecular weight of 261.65 g/mol. Its IUPAC name is (4-chloro-2,3-difluorophenyl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(4-chloro-2,3-difluorophenyl)-morpholin-4-ylmethanone
PubChem CID1297149
Molecular FormulaC11H10ClF2NO2
Molecular Weight261.65 g/mol
Exact Mass261.04
IUPAC Name(4-chloro-2,3-difluorophenyl)-morpholin-4-ylmethanone
SMILESO=C(c1ccc(Cl)c(F)c1F)N1CCOCC1
InChIInChI=1S/C11H10ClF2NO2/c12-8-2-1-7(9(13)10(8)14)11(16)15-3-5-17-6-4-15/h1-2H,3-6H2
InChIKeyASRFYYOEVMAQID-UHFFFAOYSA-N
XLogP2.09
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.65
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-chloro-2,3-difluorophenyl)-morpholin-4-ylmethanone?
The IUPAC name of (4-chloro-2,3-difluorophenyl)-morpholin-4-ylmethanone (CID 1297149) is (4-chloro-2,3-difluorophenyl)-morpholin-4-ylmethanone.
What is the SMILES notation for (4-chloro-2,3-difluorophenyl)-morpholin-4-ylmethanone?
The canonical SMILES for (4-chloro-2,3-difluorophenyl)-morpholin-4-ylmethanone is O=C(c1ccc(Cl)c(F)c1F)N1CCOCC1.
What is the InChIKey of (4-chloro-2,3-difluorophenyl)-morpholin-4-ylmethanone?
The InChIKey is ASRFYYOEVMAQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF2NO2/c12-8-2-1-7(9(13)10(8)14)11(16)15-3-5-17-6-4-15/h1-2H,3-6H2.
What are the key properties of (4-chloro-2,3-difluorophenyl)-morpholin-4-ylmethanone?
(4-chloro-2,3-difluorophenyl)-morpholin-4-ylmethanone has a molecular weight of 261.65 g/mol, XLogP of 2.09, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2,3-difluorophenyl)-morpholin-4-ylmethanone is sourced from PubChem (CID 1297149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).