[4-[(3,4-difluorophenyl)methyl]morpholin-2-yl]-morpholin-4-ylmethanone

C16H20F2N2O3 — CID 155981397

IUPAC[4-[(3,4-difluorophenyl)methyl]morpholin-2-yl]-morpholin-4-ylmethanone
SMILESO=C(C1CN(Cc2ccc(F)c(F)c2)CCO1)N1CCOCC1
InChIInChI=1S/C16H20F2N2O3/c17-13-2-1-12(9-14(13)18)10-19-3-8-23-15(11-19)16(21)20-4-6-22-7-5-20/h1-2,9,15H,3-8,10-11H2
InChIKeyOPBUTUSNQAVYNC-UHFFFAOYSA-N
MW326.34 g/mol
LogP1.02
Rot. Bonds3

About [4-[(3,4-difluorophenyl)methyl]morpholin-2-yl]-morpholin-4-ylmethanone

[4-[(3,4-difluorophenyl)methyl]morpholin-2-yl]-morpholin-4-ylmethanone (PubChem CID 155981397) has the molecular formula C16H20F2N2O3 and a molecular weight of 326.34 g/mol. Its IUPAC name is [4-[(3,4-difluorophenyl)methyl]morpholin-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[(3,4-difluorophenyl)methyl]morpholin-2-yl]-morpholin-4-ylmethanone
PubChem CID155981397
Molecular FormulaC16H20F2N2O3
Molecular Weight326.34 g/mol
Exact Mass326.14
IUPAC Name[4-[(3,4-difluorophenyl)methyl]morpholin-2-yl]-morpholin-4-ylmethanone
SMILESO=C(C1CN(Cc2ccc(F)c(F)c2)CCO1)N1CCOCC1
InChIInChI=1S/C16H20F2N2O3/c17-13-2-1-12(9-14(13)18)10-19-3-8-23-15(11-19)16(21)20-4-6-22-7-5-20/h1-2,9,15H,3-8,10-11H2
InChIKeyOPBUTUSNQAVYNC-UHFFFAOYSA-N
XLogP1.02
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.34
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone
CID 165435209
N-cyclopropyl-4-[(3,4-difluorophenyl)methyl]morpholine-2-carboxamide
CID 155981047
[4-[(3-fluorophenyl)methyl]morpholin-2-yl]-pyrrolidin-1-ylmethanone
CID 155800439
[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]-pyrrolidin-1-ylmethanone
CID 155800618
4-[(4-fluoro-3-methylphenyl)methyl]morpholine-2-carboxylic acid
CID 65067073
[4-[(4-bromophenyl)methyl]morpholin-2-yl]-thiomorpholin-4-ylmethanone
CID 146078396
1-methyl-4-[[2-(pyrrolidine-1-carbonyl)morpholin-4-yl]methyl]pyridin-2-one
CID 155974237
thiomorpholin-4-yl-[4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methanone
CID 146078359
[4-[(2-chloro-6-fluorophenyl)methyl]morpholin-2-yl]-pyrrolidin-1-ylmethanone
CID 155800553
[4-[(2-fluorophenyl)methyl]morpholin-2-yl]-thiomorpholin-4-ylmethanone
CID 146078179
(3,4-difluorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methanone
CID 24724260
[(2R,3aS,7aS)-6-[(3,4-difluorophenyl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(4-methylpiperidin-1-yl)methanone
CID 155878543

Frequently Asked Questions

What is the IUPAC name of [4-[(3,4-difluorophenyl)methyl]morpholin-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[(3,4-difluorophenyl)methyl]morpholin-2-yl]-morpholin-4-ylmethanone (CID 155981397) is [4-[(3,4-difluorophenyl)methyl]morpholin-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[(3,4-difluorophenyl)methyl]morpholin-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[(3,4-difluorophenyl)methyl]morpholin-2-yl]-morpholin-4-ylmethanone is O=C(C1CN(Cc2ccc(F)c(F)c2)CCO1)N1CCOCC1.
What is the InChIKey of [4-[(3,4-difluorophenyl)methyl]morpholin-2-yl]-morpholin-4-ylmethanone?
The InChIKey is OPBUTUSNQAVYNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2N2O3/c17-13-2-1-12(9-14(13)18)10-19-3-8-23-15(11-19)16(21)20-4-6-22-7-5-20/h1-2,9,15H,3-8,10-11H2.
What are the key properties of [4-[(3,4-difluorophenyl)methyl]morpholin-2-yl]-morpholin-4-ylmethanone?
[4-[(3,4-difluorophenyl)methyl]morpholin-2-yl]-morpholin-4-ylmethanone has a molecular weight of 326.34 g/mol, XLogP of 1.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3,4-difluorophenyl)methyl]morpholin-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 155981397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).