(7-fluoro-1-benzofuran-2-yl)-(4-methylmorpholin-2-yl)methanone

C14H14FNO3 — CID 114725668

IUPAC(7-fluoro-1-benzofuran-2-yl)-(4-methylmorpholin-2-yl)methanone
SMILESCN1CCOC(C(=O)c2cc3cccc(F)c3o2)C1
InChIInChI=1S/C14H14FNO3/c1-16-5-6-18-12(8-16)13(17)11-7-9-3-2-4-10(15)14(9)19-11/h2-4,7,12H,5-6,8H2,1H3
InChIKeyWRRMETGOJQOZII-UHFFFAOYSA-N
MW263.27 g/mol
LogP2.09
Rot. Bonds2

About (7-fluoro-1-benzofuran-2-yl)-(4-methylmorpholin-2-yl)methanone

(7-fluoro-1-benzofuran-2-yl)-(4-methylmorpholin-2-yl)methanone (PubChem CID 114725668) has the molecular formula C14H14FNO3 and a molecular weight of 263.27 g/mol. Its IUPAC name is (7-fluoro-1-benzofuran-2-yl)-(4-methylmorpholin-2-yl)methanone.

Molecular Properties

Compound Name(7-fluoro-1-benzofuran-2-yl)-(4-methylmorpholin-2-yl)methanone
PubChem CID114725668
Molecular FormulaC14H14FNO3
Molecular Weight263.27 g/mol
Exact Mass263.10
IUPAC Name(7-fluoro-1-benzofuran-2-yl)-(4-methylmorpholin-2-yl)methanone
SMILESCN1CCOC(C(=O)c2cc3cccc(F)c3o2)C1
InChIInChI=1S/C14H14FNO3/c1-16-5-6-18-12(8-16)13(17)11-7-9-3-2-4-10(15)14(9)19-11/h2-4,7,12H,5-6,8H2,1H3
InChIKeyWRRMETGOJQOZII-UHFFFAOYSA-N
XLogP2.09
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(7-fluoro-1-benzofuran-2-yl)-(4-propan-2-ylmorpholin-2-yl)methanone
CID 114725740
(7-fluoro-1-benzofuran-2-yl)-(4-methylmorpholin-2-yl)methanol
CID 114726911
7-fluoro-1-benzofuran-2-carboxylic acid
CID 22244304
(3-fluoro-4-methylphenyl)-(4-methylmorpholin-2-yl)methanone
CID 107128362
(2,2-dimethylcyclopentyl)-(7-fluoro-1-benzofuran-2-yl)methanone
CID 107187565
(4,4-difluorocyclohexyl)-(7-fluoro-1-benzofuran-2-yl)methanone
CID 105132886
[4-(aminomethyl)cyclohexyl]-(7-fluoro-1-benzofuran-2-yl)methanone
CID 114737005
7-fluoro-N-propyl-N-(2-pyrrolidin-1-ylethyl)-1-benzofuran-2-carboxamide
CID 126801365
7-fluoro-N-[(3S,4S)-4-methoxy-1-methylpyrrolidin-3-yl]-1-benzofuran-2-carboxamide
CID 122555918
(2,5-dimethylphenyl)-(4-methylmorpholin-2-yl)methanone
CID 79077705
(7-fluoro-1-benzofuran-2-yl)-(1-methylpyrazol-4-yl)methanone
CID 112614555
(7-fluoro-1-benzofuran-2-yl)-thiomorpholin-3-ylmethanone
CID 114737342

Frequently Asked Questions

What is the IUPAC name of (7-fluoro-1-benzofuran-2-yl)-(4-methylmorpholin-2-yl)methanone?
The IUPAC name of (7-fluoro-1-benzofuran-2-yl)-(4-methylmorpholin-2-yl)methanone (CID 114725668) is (7-fluoro-1-benzofuran-2-yl)-(4-methylmorpholin-2-yl)methanone.
What is the SMILES notation for (7-fluoro-1-benzofuran-2-yl)-(4-methylmorpholin-2-yl)methanone?
The canonical SMILES for (7-fluoro-1-benzofuran-2-yl)-(4-methylmorpholin-2-yl)methanone is CN1CCOC(C(=O)c2cc3cccc(F)c3o2)C1.
What is the InChIKey of (7-fluoro-1-benzofuran-2-yl)-(4-methylmorpholin-2-yl)methanone?
The InChIKey is WRRMETGOJQOZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO3/c1-16-5-6-18-12(8-16)13(17)11-7-9-3-2-4-10(15)14(9)19-11/h2-4,7,12H,5-6,8H2,1H3.
What are the key properties of (7-fluoro-1-benzofuran-2-yl)-(4-methylmorpholin-2-yl)methanone?
(7-fluoro-1-benzofuran-2-yl)-(4-methylmorpholin-2-yl)methanone has a molecular weight of 263.27 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-fluoro-1-benzofuran-2-yl)-(4-methylmorpholin-2-yl)methanone is sourced from PubChem (CID 114725668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).