(2-chloro-6-fluorophenyl)-(2-methylmorpholin-4-yl)methanone

C12H13ClFNO2 — CID 52985815

IUPAC(2-chloro-6-fluorophenyl)-(2-methylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2c(F)cccc2Cl)CCO1
InChIInChI=1S/C12H13ClFNO2/c1-8-7-15(5-6-17-8)12(16)11-9(13)3-2-4-10(11)14/h2-4,8H,5-7H2,1H3
InChIKeyFGFQJBAYQFPBIQ-UHFFFAOYSA-N
MW257.69 g/mol
LogP2.34
Rot. Bonds1

About (2-chloro-6-fluorophenyl)-(2-methylmorpholin-4-yl)methanone

(2-chloro-6-fluorophenyl)-(2-methylmorpholin-4-yl)methanone (PubChem CID 52985815) has the molecular formula C12H13ClFNO2 and a molecular weight of 257.69 g/mol. Its IUPAC name is (2-chloro-6-fluorophenyl)-(2-methylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(2-chloro-6-fluorophenyl)-(2-methylmorpholin-4-yl)methanone
PubChem CID52985815
Molecular FormulaC12H13ClFNO2
Molecular Weight257.69 g/mol
Exact Mass257.06
IUPAC Name(2-chloro-6-fluorophenyl)-(2-methylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2c(F)cccc2Cl)CCO1
InChIInChI=1S/C12H13ClFNO2/c1-8-7-15(5-6-17-8)12(16)11-9(13)3-2-4-10(11)14/h2-4,8H,5-7H2,1H3
InChIKeyFGFQJBAYQFPBIQ-UHFFFAOYSA-N
XLogP2.34
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.69
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-bromo-6-fluorophenyl)-[(2R)-2-methylmorpholin-4-yl]methanone
CID 172647340
(2-bromo-6-chlorophenyl)-[(2R)-2-methylmorpholin-4-yl]methanone
CID 172647342
(2-chloro-6-fluorophenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 110749738
(2-chloro-6-iodophenyl)-[(2S)-2-methylmorpholin-4-yl]methanone
CID 172647236
(2-chloro-6-fluorophenyl)-(3-methylpiperidin-1-yl)methanone
CID 17217403
(2-chloro-6-fluorophenyl)-[2-(3,5-dichlorophenyl)morpholin-4-yl]methanone
CID 121134492
(2-bromo-3-chlorophenyl)-[(2R)-2-methylmorpholin-4-yl]methanone
CID 172647316
(2-chloro-6-fluorophenyl)-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]methanone
CID 110369220
2-chloro-N-[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]-6-fluorobenzamide
CID 55714599
(4-bromo-2,6-difluorophenyl)-(2-methylmorpholin-4-yl)methanone
CID 71683349
(2,6-dichlorophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81207971
[3-(bromomethyl)pyrrolidin-1-yl]-(2-chloro-6-fluorophenyl)methanone
CID 80667434

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-fluorophenyl)-(2-methylmorpholin-4-yl)methanone?
The IUPAC name of (2-chloro-6-fluorophenyl)-(2-methylmorpholin-4-yl)methanone (CID 52985815) is (2-chloro-6-fluorophenyl)-(2-methylmorpholin-4-yl)methanone.
What is the SMILES notation for (2-chloro-6-fluorophenyl)-(2-methylmorpholin-4-yl)methanone?
The canonical SMILES for (2-chloro-6-fluorophenyl)-(2-methylmorpholin-4-yl)methanone is CC1CN(C(=O)c2c(F)cccc2Cl)CCO1.
What is the InChIKey of (2-chloro-6-fluorophenyl)-(2-methylmorpholin-4-yl)methanone?
The InChIKey is FGFQJBAYQFPBIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClFNO2/c1-8-7-15(5-6-17-8)12(16)11-9(13)3-2-4-10(11)14/h2-4,8H,5-7H2,1H3.
What are the key properties of (2-chloro-6-fluorophenyl)-(2-methylmorpholin-4-yl)methanone?
(2-chloro-6-fluorophenyl)-(2-methylmorpholin-4-yl)methanone has a molecular weight of 257.69 g/mol, XLogP of 2.34, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-fluorophenyl)-(2-methylmorpholin-4-yl)methanone is sourced from PubChem (CID 52985815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).