(3,4-difluorophenyl)-(3-methylmorpholin-4-yl)methanone

C12H13F2NO2 — CID 110292238

IUPAC(3,4-difluorophenyl)-(3-methylmorpholin-4-yl)methanone
SMILESCC1COCCN1C(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C12H13F2NO2/c1-8-7-17-5-4-15(8)12(16)9-2-3-10(13)11(14)6-9/h2-3,6,8H,4-5,7H2,1H3
InChIKeyFAXPBDKIGNJOOX-UHFFFAOYSA-N
MW241.24 g/mol
LogP1.83
Rot. Bonds1

About (3,4-difluorophenyl)-(3-methylmorpholin-4-yl)methanone

(3,4-difluorophenyl)-(3-methylmorpholin-4-yl)methanone (PubChem CID 110292238) has the molecular formula C12H13F2NO2 and a molecular weight of 241.24 g/mol. Its IUPAC name is (3,4-difluorophenyl)-(3-methylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(3,4-difluorophenyl)-(3-methylmorpholin-4-yl)methanone
PubChem CID110292238
Molecular FormulaC12H13F2NO2
Molecular Weight241.24 g/mol
Exact Mass241.09
IUPAC Name(3,4-difluorophenyl)-(3-methylmorpholin-4-yl)methanone
SMILESCC1COCCN1C(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C12H13F2NO2/c1-8-7-17-5-4-15(8)12(16)9-2-3-10(13)11(14)6-9/h2-3,6,8H,4-5,7H2,1H3
InChIKeyFAXPBDKIGNJOOX-UHFFFAOYSA-N
XLogP1.83
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Bavisant
CID 16061509
Benzoylpiperidine
CID 69892
1-(3,4-Difluorobenzoyl)-4-methylpiperazine
CID 550711
Benzamide, 4-fluoro-N-(2-(4-morpholinyl)ethyl)-
CID 835134
N-Benzoylmorpholine
CID 15114
l-Alanine, N-(4-fluorobenzoyl)-, methyl ester
CID 531396
4-(2,3-Difluoro-4-methylbenzoyl)morpholine
CID 2210872
N-(2-Fluorobenzoyl)morpholine
CID 531931
N-(4-Fluorobenzoyl)morpholine
CID 531951
N-(2-morpholin-4-yl-2-oxoethyl)benzamide
CID 570439
(2-Fluorophenyl)-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]methanone
CID 754219
4-Methyl-N~1~-(3-morpholino-3-oxopropyl)benzamide
CID 2977005

Frequently Asked Questions

What is the IUPAC name of (3,4-difluorophenyl)-(3-methylmorpholin-4-yl)methanone?
The IUPAC name of (3,4-difluorophenyl)-(3-methylmorpholin-4-yl)methanone (CID 110292238) is (3,4-difluorophenyl)-(3-methylmorpholin-4-yl)methanone.
What is the SMILES notation for (3,4-difluorophenyl)-(3-methylmorpholin-4-yl)methanone?
The canonical SMILES for (3,4-difluorophenyl)-(3-methylmorpholin-4-yl)methanone is CC1COCCN1C(=O)c1ccc(F)c(F)c1.
What is the InChIKey of (3,4-difluorophenyl)-(3-methylmorpholin-4-yl)methanone?
The InChIKey is FAXPBDKIGNJOOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2NO2/c1-8-7-17-5-4-15(8)12(16)9-2-3-10(13)11(14)6-9/h2-3,6,8H,4-5,7H2,1H3.
What are the key properties of (3,4-difluorophenyl)-(3-methylmorpholin-4-yl)methanone?
(3,4-difluorophenyl)-(3-methylmorpholin-4-yl)methanone has a molecular weight of 241.24 g/mol, XLogP of 1.83, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-difluorophenyl)-(3-methylmorpholin-4-yl)methanone is sourced from PubChem (CID 110292238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).