(2-chloro-5,6-difluoro-3-methylphenyl)-morpholin-4-ylmethanone

C12H12ClF2NO2 — CID 775598

IUPAC(2-chloro-5,6-difluoro-3-methylphenyl)-morpholin-4-ylmethanone
SMILESCc1cc(F)c(F)c(C(=O)N2CCOCC2)c1Cl
InChIInChI=1S/C12H12ClF2NO2/c1-7-6-8(14)11(15)9(10(7)13)12(17)16-2-4-18-5-3-16/h6H,2-5H2,1H3
InChIKeyYQMFGRKJIXPCSJ-UHFFFAOYSA-N
MW275.68 g/mol
LogP2.40
Rot. Bonds1

About (2-chloro-5,6-difluoro-3-methylphenyl)-morpholin-4-ylmethanone

(2-chloro-5,6-difluoro-3-methylphenyl)-morpholin-4-ylmethanone (PubChem CID 775598) has the molecular formula C12H12ClF2NO2 and a molecular weight of 275.68 g/mol. Its IUPAC name is (2-chloro-5,6-difluoro-3-methylphenyl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(2-chloro-5,6-difluoro-3-methylphenyl)-morpholin-4-ylmethanone
PubChem CID775598
Molecular FormulaC12H12ClF2NO2
Molecular Weight275.68 g/mol
Exact Mass275.05
IUPAC Name(2-chloro-5,6-difluoro-3-methylphenyl)-morpholin-4-ylmethanone
SMILESCc1cc(F)c(F)c(C(=O)N2CCOCC2)c1Cl
InChIInChI=1S/C12H12ClF2NO2/c1-7-6-8(14)11(15)9(10(7)13)12(17)16-2-4-18-5-3-16/h6H,2-5H2,1H3
InChIKeyYQMFGRKJIXPCSJ-UHFFFAOYSA-N
XLogP2.40
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.68
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

4-(2-Chlorobenzoyl)-morpholine
CID 225451
4-(2,3-Difluoro-4-methylbenzoyl)morpholine
CID 2210872
1-(2-Chloro-5,6-difluoro-3-methylbenzoyl)-4-methylpiperidine
CID 604891
4-(3,5-Dichlorobenzoyl)morpholine
CID 790875
N-(4-Chlorobenzoyl)morpholine
CID 225452
Morpholino(3-(trifluoromethyl)phenyl)methanone
CID 531804
4-(2,6-Difluorobenzoyl)morpholine
CID 532216
1-(2-Chloro-4,5-difluorobenzoyl)piperidine
CID 744426
1-(2-Chloro-5,6-difluoro-3-methylbenzoyl)-4-methylpiperazine
CID 876193
2-(2-Chloro-6-fluorophenyl)-1-morpholin-4-ylethanone
CID 974102
6-Chloro-2,3-difluoro-5-methylphenyl 2-methylpiperidyl ketone
CID 2872242
2,6-Dimethylpiperidyl 6-chloro-2,3-difluoro-5-methylphenyl ketone
CID 2872251

Frequently Asked Questions

What is the IUPAC name of (2-chloro-5,6-difluoro-3-methylphenyl)-morpholin-4-ylmethanone?
The IUPAC name of (2-chloro-5,6-difluoro-3-methylphenyl)-morpholin-4-ylmethanone (CID 775598) is (2-chloro-5,6-difluoro-3-methylphenyl)-morpholin-4-ylmethanone.
What is the SMILES notation for (2-chloro-5,6-difluoro-3-methylphenyl)-morpholin-4-ylmethanone?
The canonical SMILES for (2-chloro-5,6-difluoro-3-methylphenyl)-morpholin-4-ylmethanone is Cc1cc(F)c(F)c(C(=O)N2CCOCC2)c1Cl.
What is the InChIKey of (2-chloro-5,6-difluoro-3-methylphenyl)-morpholin-4-ylmethanone?
The InChIKey is YQMFGRKJIXPCSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClF2NO2/c1-7-6-8(14)11(15)9(10(7)13)12(17)16-2-4-18-5-3-16/h6H,2-5H2,1H3.
What are the key properties of (2-chloro-5,6-difluoro-3-methylphenyl)-morpholin-4-ylmethanone?
(2-chloro-5,6-difluoro-3-methylphenyl)-morpholin-4-ylmethanone has a molecular weight of 275.68 g/mol, XLogP of 2.40, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-5,6-difluoro-3-methylphenyl)-morpholin-4-ylmethanone is sourced from PubChem (CID 775598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).