(2,3-dimethylmorpholin-4-yl)-(4-fluorophenyl)methanone

C13H16FNO2 — CID 110727735

IUPAC(2,3-dimethylmorpholin-4-yl)-(4-fluorophenyl)methanone
SMILESCC1OCCN(C(=O)c2ccc(F)cc2)C1C
InChIInChI=1S/C13H16FNO2/c1-9-10(2)17-8-7-15(9)13(16)11-3-5-12(14)6-4-11/h3-6,9-10H,7-8H2,1-2H3
InChIKeyFVZVFKZWIMEZNI-UHFFFAOYSA-N
MW237.27 g/mol
LogP2.08
Rot. Bonds1

About (2,3-dimethylmorpholin-4-yl)-(4-fluorophenyl)methanone

(2,3-dimethylmorpholin-4-yl)-(4-fluorophenyl)methanone (PubChem CID 110727735) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is (2,3-dimethylmorpholin-4-yl)-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name(2,3-dimethylmorpholin-4-yl)-(4-fluorophenyl)methanone
PubChem CID110727735
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC Name(2,3-dimethylmorpholin-4-yl)-(4-fluorophenyl)methanone
SMILESCC1OCCN(C(=O)c2ccc(F)cc2)C1C
InChIInChI=1S/C13H16FNO2/c1-9-10(2)17-8-7-15(9)13(16)11-3-5-12(14)6-4-11/h3-6,9-10H,7-8H2,1-2H3
InChIKeyFVZVFKZWIMEZNI-UHFFFAOYSA-N
XLogP2.08
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2,3-dimethylmorpholin-4-yl)-(4-propan-2-ylphenyl)methanone
CID 110727739
N-[4-(2,3-dimethylmorpholine-4-carbonyl)phenyl]acetamide
CID 110744443
[(2S,3R)-2,3-dimethylmorpholin-4-yl]-(3-hydroxy-4-nitrophenyl)methanone
CID 99695566
N-(2-chloro-5-fluorophenyl)-2,3-dimethylmorpholine-4-carboxamide
CID 75499419
2-(2,3-dimethylmorpholine-4-carbonyl)pyridine-4-carboxylic acid
CID 122055971
(3R)-4-(4-fluorobenzoyl)-3-methylpiperazine-2-carbaldehyde
CID 174856714
N-(2-chloro-4-fluorophenyl)-2-(2,3-dimethylmorpholin-4-yl)-2-oxoacetamide
CID 119044042
N-(3,5-difluorophenyl)-2-[(2R,3R)-2,3-dimethylmorpholin-4-yl]-2-oxoacetamide
CID 124621960
4-(4-fluorobenzoyl)morpholine-3-carboxamide
CID 83093019
(2-methyl-1,3-oxazolidin-3-yl)-(4-propan-2-ylphenyl)methanone
CID 110740136
(4-methoxyphenyl)-(3-methyl-2-phenylmorpholin-4-yl)methanone
CID 110728442
2-bromo-1-(2,3-dimethylmorpholin-4-yl)-2-methylpropan-1-one
CID 130825771

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethylmorpholin-4-yl)-(4-fluorophenyl)methanone?
The IUPAC name of (2,3-dimethylmorpholin-4-yl)-(4-fluorophenyl)methanone (CID 110727735) is (2,3-dimethylmorpholin-4-yl)-(4-fluorophenyl)methanone.
What is the SMILES notation for (2,3-dimethylmorpholin-4-yl)-(4-fluorophenyl)methanone?
The canonical SMILES for (2,3-dimethylmorpholin-4-yl)-(4-fluorophenyl)methanone is CC1OCCN(C(=O)c2ccc(F)cc2)C1C.
What is the InChIKey of (2,3-dimethylmorpholin-4-yl)-(4-fluorophenyl)methanone?
The InChIKey is FVZVFKZWIMEZNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2/c1-9-10(2)17-8-7-15(9)13(16)11-3-5-12(14)6-4-11/h3-6,9-10H,7-8H2,1-2H3.
What are the key properties of (2,3-dimethylmorpholin-4-yl)-(4-fluorophenyl)methanone?
(2,3-dimethylmorpholin-4-yl)-(4-fluorophenyl)methanone has a molecular weight of 237.27 g/mol, XLogP of 2.08, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethylmorpholin-4-yl)-(4-fluorophenyl)methanone is sourced from PubChem (CID 110727735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).