(3-fluoro-4-methylphenyl)-(4-methylmorpholin-2-yl)methanone

C13H16FNO2 — CID 107128362

IUPAC(3-fluoro-4-methylphenyl)-(4-methylmorpholin-2-yl)methanone
SMILESCc1ccc(C(=O)C2CN(C)CCO2)cc1F
InChIInChI=1S/C13H16FNO2/c1-9-3-4-10(7-11(9)14)13(16)12-8-15(2)5-6-17-12/h3-4,7,12H,5-6,8H2,1-2H3
InChIKeyLXBMYVJFKMMGQS-UHFFFAOYSA-N
MW237.27 g/mol
LogP1.65
Rot. Bonds2

About (3-fluoro-4-methylphenyl)-(4-methylmorpholin-2-yl)methanone

(3-fluoro-4-methylphenyl)-(4-methylmorpholin-2-yl)methanone (PubChem CID 107128362) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is (3-fluoro-4-methylphenyl)-(4-methylmorpholin-2-yl)methanone.

Molecular Properties

Compound Name(3-fluoro-4-methylphenyl)-(4-methylmorpholin-2-yl)methanone
PubChem CID107128362
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC Name(3-fluoro-4-methylphenyl)-(4-methylmorpholin-2-yl)methanone
SMILESCc1ccc(C(=O)C2CN(C)CCO2)cc1F
InChIInChI=1S/C13H16FNO2/c1-9-3-4-10(7-11(9)14)13(16)12-8-15(2)5-6-17-12/h3-4,7,12H,5-6,8H2,1-2H3
InChIKeyLXBMYVJFKMMGQS-UHFFFAOYSA-N
XLogP1.65
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2,5-dimethylphenyl)-(4-methylmorpholin-2-yl)methanone
CID 79077705
(4-methylmorpholin-2-yl)-(5-methylthiophen-3-yl)methanone
CID 79077414
(5-fluoro-3-pyridinyl)-(4-methylmorpholin-2-yl)methanone
CID 79077902
(4-ethylmorpholin-2-yl)-(4-fluoro-3-methylphenyl)methanone
CID 79666580
(4-methylmorpholin-2-yl)-(5-methyl-3-pyridinyl)methanone
CID 115374040
4-(3-fluoro-4-methylbenzoyl)morpholine-2-carbothioamide
CID 79675097
(4-methylmorpholin-2-yl)-(4-methyl-3-pyridinyl)methanone
CID 79077110
(4-methylmorpholin-2-yl)-(2-methylthiophen-3-yl)methanone
CID 102830916
(7-fluoro-1-benzofuran-2-yl)-(4-methylmorpholin-2-yl)methanone
CID 114725668
(3-fluoro-4-methylphenyl)-(oxan-4-yl)methanone
CID 63935252
(4-methylmorpholin-2-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 79078104
3,4-difluoro-N-[2-(4-methylmorpholin-2-yl)ethyl]benzamide
CID 110709915

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-methylphenyl)-(4-methylmorpholin-2-yl)methanone?
The IUPAC name of (3-fluoro-4-methylphenyl)-(4-methylmorpholin-2-yl)methanone (CID 107128362) is (3-fluoro-4-methylphenyl)-(4-methylmorpholin-2-yl)methanone.
What is the SMILES notation for (3-fluoro-4-methylphenyl)-(4-methylmorpholin-2-yl)methanone?
The canonical SMILES for (3-fluoro-4-methylphenyl)-(4-methylmorpholin-2-yl)methanone is Cc1ccc(C(=O)C2CN(C)CCO2)cc1F.
What is the InChIKey of (3-fluoro-4-methylphenyl)-(4-methylmorpholin-2-yl)methanone?
The InChIKey is LXBMYVJFKMMGQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2/c1-9-3-4-10(7-11(9)14)13(16)12-8-15(2)5-6-17-12/h3-4,7,12H,5-6,8H2,1-2H3.
What are the key properties of (3-fluoro-4-methylphenyl)-(4-methylmorpholin-2-yl)methanone?
(3-fluoro-4-methylphenyl)-(4-methylmorpholin-2-yl)methanone has a molecular weight of 237.27 g/mol, XLogP of 1.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-methylphenyl)-(4-methylmorpholin-2-yl)methanone is sourced from PubChem (CID 107128362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).