(7-fluoro-1-benzofuran-2-yl)-(4-propan-2-ylmorpholin-2-yl)methanone

C16H18FNO3 — CID 114725740

IUPAC(7-fluoro-1-benzofuran-2-yl)-(4-propan-2-ylmorpholin-2-yl)methanone
SMILESCC(C)N1CCOC(C(=O)c2cc3cccc(F)c3o2)C1
InChIInChI=1S/C16H18FNO3/c1-10(2)18-6-7-20-14(9-18)15(19)13-8-11-4-3-5-12(17)16(11)21-13/h3-5,8,10,14H,6-7,9H2,1-2H3
InChIKeyXKBHFHDXTZPZOF-UHFFFAOYSA-N
MW291.32 g/mol
LogP2.86
Rot. Bonds3

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

(7-fluoro-1-benzofuran-2-yl)-(4-propan-2-ylmorpholin-2-yl)methanone (PubChem CID 114725740) has the molecular formula C16H18FNO3 and a molecular weight of 291.32 g/mol. Its IUPAC name is (7-fluoro-1-benzofuran-2-yl)-(4-propan-2-ylmorpholin-2-yl)methanone.

Molecular Properties

Compound Name(7-fluoro-1-benzofuran-2-yl)-(4-propan-2-ylmorpholin-2-yl)methanone
PubChem CID114725740
Molecular FormulaC16H18FNO3
Molecular Weight291.32 g/mol
Exact Mass291.13
IUPAC Name(7-fluoro-1-benzofuran-2-yl)-(4-propan-2-ylmorpholin-2-yl)methanone
SMILESCC(C)N1CCOC(C(=O)c2cc3cccc(F)c3o2)C1
InChIInChI=1S/C16H18FNO3/c1-10(2)18-6-7-20-14(9-18)15(19)13-8-11-4-3-5-12(17)16(11)21-13/h3-5,8,10,14H,6-7,9H2,1-2H3
InChIKeyXKBHFHDXTZPZOF-UHFFFAOYSA-N
XLogP2.86
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(7-fluoro-1-benzofuran-2-yl)-(4-methylmorpholin-2-yl)methanone
CID 114725668
(2-fluorophenyl)-(4-propan-2-ylmorpholin-2-yl)methanone
CID 79658227
(2,3-difluoro-4-methylphenyl)-(4-propan-2-ylmorpholin-2-yl)methanone
CID 107512705
2-(3-fluorophenyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone
CID 79657371
(4-propan-2-ylmorpholin-2-yl)-quinolin-6-ylmethanone
CID 81198472
(4,4-difluorocyclohexyl)-(7-fluoro-1-benzofuran-2-yl)methanone
CID 105132886
(2,2-dimethylcyclopentyl)-(7-fluoro-1-benzofuran-2-yl)methanone
CID 107187565
(2,6-difluorophenyl)-(4-propan-2-ylmorpholin-2-yl)methanol
CID 79664477
4-[1-(2-fluorophenyl)ethyl]morpholine-2-carboxylic acid
CID 65067273
(7-fluoro-1-benzofuran-2-yl)-(4-methylmorpholin-2-yl)methanol
CID 114726911
[4-(aminomethyl)cyclohexyl]-(7-fluoro-1-benzofuran-2-yl)methanone
CID 114737005
3-phenyl-1-(4-propan-2-ylmorpholin-2-yl)propan-1-one
CID 79664689

Frequently Asked Questions

What is the IUPAC name of (7-fluoro-1-benzofuran-2-yl)-(4-propan-2-ylmorpholin-2-yl)methanone?
The IUPAC name of (7-fluoro-1-benzofuran-2-yl)-(4-propan-2-ylmorpholin-2-yl)methanone (CID 114725740) is (7-fluoro-1-benzofuran-2-yl)-(4-propan-2-ylmorpholin-2-yl)methanone.
What is the SMILES notation for (7-fluoro-1-benzofuran-2-yl)-(4-propan-2-ylmorpholin-2-yl)methanone?
The canonical SMILES for (7-fluoro-1-benzofuran-2-yl)-(4-propan-2-ylmorpholin-2-yl)methanone is CC(C)N1CCOC(C(=O)c2cc3cccc(F)c3o2)C1.
What is the InChIKey of (7-fluoro-1-benzofuran-2-yl)-(4-propan-2-ylmorpholin-2-yl)methanone?
The InChIKey is XKBHFHDXTZPZOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO3/c1-10(2)18-6-7-20-14(9-18)15(19)13-8-11-4-3-5-12(17)16(11)21-13/h3-5,8,10,14H,6-7,9H2,1-2H3.
What are the key properties of (7-fluoro-1-benzofuran-2-yl)-(4-propan-2-ylmorpholin-2-yl)methanone?
(7-fluoro-1-benzofuran-2-yl)-(4-propan-2-ylmorpholin-2-yl)methanone has a molecular weight of 291.32 g/mol, XLogP of 2.86, 3 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-propan-2-ylmorpholin-2-yl)methanone is sourced from PubChem (CID 114725740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).