(3,4-difluoro-2-methoxyphenyl)-morpholin-4-ylmethanone

C12H13F2NO3 — CID 164512719

IUPAC(3,4-difluoro-2-methoxyphenyl)-morpholin-4-ylmethanone
SMILESCOc1c(C(=O)N2CCOCC2)ccc(F)c1F
InChIInChI=1S/C12H13F2NO3/c1-17-11-8(2-3-9(13)10(11)14)12(16)15-4-6-18-7-5-15/h2-3H,4-7H2,1H3
InChIKeyKGNVDRXTWMLKEF-UHFFFAOYSA-N
MW257.24 g/mol
LogP1.45
Rot. Bonds2

About (3,4-difluoro-2-methoxyphenyl)-morpholin-4-ylmethanone

(3,4-difluoro-2-methoxyphenyl)-morpholin-4-ylmethanone (PubChem CID 164512719) has the molecular formula C12H13F2NO3 and a molecular weight of 257.24 g/mol. Its IUPAC name is (3,4-difluoro-2-methoxyphenyl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(3,4-difluoro-2-methoxyphenyl)-morpholin-4-ylmethanone
PubChem CID164512719
Molecular FormulaC12H13F2NO3
Molecular Weight257.24 g/mol
Exact Mass257.09
IUPAC Name(3,4-difluoro-2-methoxyphenyl)-morpholin-4-ylmethanone
SMILESCOc1c(C(=O)N2CCOCC2)ccc(F)c1F
InChIInChI=1S/C12H13F2NO3/c1-17-11-8(2-3-9(13)10(11)14)12(16)15-4-6-18-7-5-15/h2-3H,4-7H2,1H3
InChIKeyKGNVDRXTWMLKEF-UHFFFAOYSA-N
XLogP1.45
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.24
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-fluoro-3-methoxy-4-nitrophenyl)-morpholin-4-ylmethanone
CID 70099135
(4-bromo-2,3-dimethoxyphenyl)-morpholin-4-ylmethanone
CID 66800644
[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-(2,3,4-trifluorophenyl)methanone
CID 113073702
ethane;(2-fluoro-5-methylphenyl)-morpholin-4-ylmethanone
CID 145081702
(2-fluoro-6-methoxyphenyl)-morpholin-4-ylmethanone
CID 65432492
(5-bromo-2-fluoro-3-methoxyphenyl)-morpholin-4-ylmethanone
CID 162421226
(2-methoxy-4-methylsulfanylphenyl)-morpholin-4-ylmethanone
CID 4661838
[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-(2,4,5-trifluoro-3-methoxyphenyl)methanone
CID 122340857
morpholin-4-yl-(2,4,5-trifluoro-3-hydroxyphenyl)methanone
CID 61226112
[4-(dimethylamino)-2-fluoro-5-methoxyphenyl]-morpholin-4-ylmethanone
CID 145213413
(5-fluoro-3-methoxy-1-benzothiophen-2-yl)-morpholin-4-ylmethanone
CID 53014209
3-morpholin-4-yl-1-[4-(2,3,4-trifluorobenzoyl)piperazin-1-yl]propan-1-one
CID 110422672

Frequently Asked Questions

What is the IUPAC name of (3,4-difluoro-2-methoxyphenyl)-morpholin-4-ylmethanone?
The IUPAC name of (3,4-difluoro-2-methoxyphenyl)-morpholin-4-ylmethanone (CID 164512719) is (3,4-difluoro-2-methoxyphenyl)-morpholin-4-ylmethanone.
What is the SMILES notation for (3,4-difluoro-2-methoxyphenyl)-morpholin-4-ylmethanone?
The canonical SMILES for (3,4-difluoro-2-methoxyphenyl)-morpholin-4-ylmethanone is COc1c(C(=O)N2CCOCC2)ccc(F)c1F.
What is the InChIKey of (3,4-difluoro-2-methoxyphenyl)-morpholin-4-ylmethanone?
The InChIKey is KGNVDRXTWMLKEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2NO3/c1-17-11-8(2-3-9(13)10(11)14)12(16)15-4-6-18-7-5-15/h2-3H,4-7H2,1H3.
What are the key properties of (3,4-difluoro-2-methoxyphenyl)-morpholin-4-ylmethanone?
(3,4-difluoro-2-methoxyphenyl)-morpholin-4-ylmethanone has a molecular weight of 257.24 g/mol, XLogP of 1.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-difluoro-2-methoxyphenyl)-morpholin-4-ylmethanone is sourced from PubChem (CID 164512719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).