2-fluoro-4-(2-morpholin-4-yl-2-oxoethoxy)benzonitrile

C13H13FN2O3 — CID 78952730

IUPAC2-fluoro-4-(2-morpholin-4-yl-2-oxoethoxy)benzonitrile
SMILESN#Cc1ccc(OCC(=O)N2CCOCC2)cc1F
InChIInChI=1S/C13H13FN2O3/c14-12-7-11(2-1-10(12)8-15)19-9-13(17)16-3-5-18-6-4-16/h1-2,7H,3-6,9H2
InChIKeyNQKXKEVLUMOQMK-UHFFFAOYSA-N
MW264.26 g/mol
LogP0.93
Rot. Bonds3

About 2-fluoro-4-(2-morpholin-4-yl-2-oxoethoxy)benzonitrile

2-fluoro-4-(2-morpholin-4-yl-2-oxoethoxy)benzonitrile (PubChem CID 78952730) has the molecular formula C13H13FN2O3 and a molecular weight of 264.26 g/mol. Its IUPAC name is 2-fluoro-4-(2-morpholin-4-yl-2-oxoethoxy)benzonitrile.

Molecular Properties

Compound Name2-fluoro-4-(2-morpholin-4-yl-2-oxoethoxy)benzonitrile
PubChem CID78952730
Molecular FormulaC13H13FN2O3
Molecular Weight264.26 g/mol
Exact Mass264.09
IUPAC Name2-fluoro-4-(2-morpholin-4-yl-2-oxoethoxy)benzonitrile
SMILESN#Cc1ccc(OCC(=O)N2CCOCC2)cc1F
InChIInChI=1S/C13H13FN2O3/c14-12-7-11(2-1-10(12)8-15)19-9-13(17)16-3-5-18-6-4-16/h1-2,7H,3-6,9H2
InChIKeyNQKXKEVLUMOQMK-UHFFFAOYSA-N
XLogP0.93
TPSA62.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.26
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]-1-morpholin-4-ylethanone
CID 107720138
2-(3-acetylphenoxy)-1-morpholin-4-ylethanone
CID 685737
2-(4-hydroxyphenoxy)-1-morpholin-4-ylethanone
CID 43143408
2-(4-methylphenoxy)-1-morpholin-4-ylethanone
CID 674914
4-(2-cyclopentyl-2-oxoethoxy)-2-fluorobenzonitrile
CID 113241516
(E)-3-(3,4-difluorophenyl)-1-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]prop-2-en-1-one
CID 8814823
2-(2,4-difluorophenoxy)-1-morpholin-4-ylethanone
CID 17190869
2-(4-cyano-3-fluorophenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 78952816
N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]acetamide;hydrate
CID 139069446
2-(4-isocyanato-3-methylphenoxy)-1-morpholin-4-ylethanone
CID 169354502
2-[4-(3-aminopropylamino)phenoxy]-1-morpholin-4-ylethanone
CID 117097700
2-(2-cyanophenyl)sulfanyl-N-[2-methyl-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide
CID 2961619

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(2-morpholin-4-yl-2-oxoethoxy)benzonitrile?
The IUPAC name of 2-fluoro-4-(2-morpholin-4-yl-2-oxoethoxy)benzonitrile (CID 78952730) is 2-fluoro-4-(2-morpholin-4-yl-2-oxoethoxy)benzonitrile.
What is the SMILES notation for 2-fluoro-4-(2-morpholin-4-yl-2-oxoethoxy)benzonitrile?
The canonical SMILES for 2-fluoro-4-(2-morpholin-4-yl-2-oxoethoxy)benzonitrile is N#Cc1ccc(OCC(=O)N2CCOCC2)cc1F.
What is the InChIKey of 2-fluoro-4-(2-morpholin-4-yl-2-oxoethoxy)benzonitrile?
The InChIKey is NQKXKEVLUMOQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O3/c14-12-7-11(2-1-10(12)8-15)19-9-13(17)16-3-5-18-6-4-16/h1-2,7H,3-6,9H2.
What are the key properties of 2-fluoro-4-(2-morpholin-4-yl-2-oxoethoxy)benzonitrile?
2-fluoro-4-(2-morpholin-4-yl-2-oxoethoxy)benzonitrile has a molecular weight of 264.26 g/mol, XLogP of 0.93, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(2-morpholin-4-yl-2-oxoethoxy)benzonitrile is sourced from PubChem (CID 78952730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).