[2-chloro-3-(trifluoromethyl)phenyl]-morpholin-4-ylmethanone

C12H11ClF3NO2 — CID 164892562

IUPAC[2-chloro-3-(trifluoromethyl)phenyl]-morpholin-4-ylmethanone
SMILESO=C(c1cccc(C(F)(F)F)c1Cl)N1CCOCC1
InChIInChI=1S/C12H11ClF3NO2/c13-10-8(2-1-3-9(10)12(14,15)16)11(18)17-4-6-19-7-5-17/h1-3H,4-7H2
InChIKeyPTHJPISEXFEAIX-UHFFFAOYSA-N
MW293.67 g/mol
LogP2.83
Rot. Bonds1

About [2-chloro-3-(trifluoromethyl)phenyl]-morpholin-4-ylmethanone

[2-chloro-3-(trifluoromethyl)phenyl]-morpholin-4-ylmethanone (PubChem CID 164892562) has the molecular formula C12H11ClF3NO2 and a molecular weight of 293.67 g/mol. Its IUPAC name is [2-chloro-3-(trifluoromethyl)phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-chloro-3-(trifluoromethyl)phenyl]-morpholin-4-ylmethanone
PubChem CID164892562
Molecular FormulaC12H11ClF3NO2
Molecular Weight293.67 g/mol
Exact Mass293.04
IUPAC Name[2-chloro-3-(trifluoromethyl)phenyl]-morpholin-4-ylmethanone
SMILESO=C(c1cccc(C(F)(F)F)c1Cl)N1CCOCC1
InChIInChI=1S/C12H11ClF3NO2/c13-10-8(2-1-3-9(10)12(14,15)16)11(18)17-4-6-19-7-5-17/h1-3H,4-7H2
InChIKeyPTHJPISEXFEAIX-UHFFFAOYSA-N
XLogP2.83
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.67
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2,3-dichlorophenyl)-morpholin-4-ylmethanone
CID 1247473
[4-(2-chlorobenzoyl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 32753291
[2-chloro-3-(trifluoromethyl)phenyl]-(3,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)methanone
CID 152793936
4-[2-chloro-3-(trifluoromethyl)benzoyl]-1-(oxolan-2-ylmethyl)piperazin-2-one
CID 25270801
2-chloro-3-(trifluoromethyl)benzamide
CID 3861109
[4-(2-chlorobenzoyl)-1,4-diazepan-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 108545273
4-[2-chloro-3-(trifluoromethyl)benzoyl]-1-(1-phenylethyl)piperazin-2-one
CID 25271480
[2-chloro-3-(trifluoromethyl)phenyl]-(3-methyl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl)methanone
CID 129153076
(4-chloropiperidin-1-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 63391010
morpholin-4-yl-[1-[2-(trifluoromethyl)benzoyl]piperidin-3-yl]methanone
CID 55517643
[2-chloro-3-(trifluoromethyl)phenyl]-(3-pyrrolidin-1-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
CID 66599718
(4-anilino-5-hydrazinyl-3,6-dihydro-2H-pyridin-1-yl)-[2-chloro-3-(trifluoromethyl)phenyl]methanone
CID 129152906

Frequently Asked Questions

What is the IUPAC name of [2-chloro-3-(trifluoromethyl)phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [2-chloro-3-(trifluoromethyl)phenyl]-morpholin-4-ylmethanone (CID 164892562) is [2-chloro-3-(trifluoromethyl)phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2-chloro-3-(trifluoromethyl)phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [2-chloro-3-(trifluoromethyl)phenyl]-morpholin-4-ylmethanone is O=C(c1cccc(C(F)(F)F)c1Cl)N1CCOCC1.
What is the InChIKey of [2-chloro-3-(trifluoromethyl)phenyl]-morpholin-4-ylmethanone?
The InChIKey is PTHJPISEXFEAIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClF3NO2/c13-10-8(2-1-3-9(10)12(14,15)16)11(18)17-4-6-19-7-5-17/h1-3H,4-7H2.
What are the key properties of [2-chloro-3-(trifluoromethyl)phenyl]-morpholin-4-ylmethanone?
[2-chloro-3-(trifluoromethyl)phenyl]-morpholin-4-ylmethanone has a molecular weight of 293.67 g/mol, XLogP of 2.83, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-3-(trifluoromethyl)phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 164892562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).