1-bicyclo[2.2.1]heptanyl-[2-(2-fluorophenyl)morpholin-4-yl]methanone

C18H22FNO2 — CID 146088807

IUPAC1-bicyclo[2.2.1]heptanyl-[2-(2-fluorophenyl)morpholin-4-yl]methanone
SMILESO=C(N1CCOC(c2ccccc2F)C1)C12CCC(CC1)C2
InChIInChI=1S/C18H22FNO2/c19-15-4-2-1-3-14(15)16-12-20(9-10-22-16)17(21)18-7-5-13(11-18)6-8-18/h1-4,13,16H,5-12H2
InChIKeyJIBUXEICTWVXAO-UHFFFAOYSA-N
MW303.38 g/mol
LogP3.31
Rot. Bonds2

About 1-bicyclo[2.2.1]heptanyl-[2-(2-fluorophenyl)morpholin-4-yl]methanone

1-bicyclo[2.2.1]heptanyl-[2-(2-fluorophenyl)morpholin-4-yl]methanone (PubChem CID 146088807) has the molecular formula C18H22FNO2 and a molecular weight of 303.38 g/mol. Its IUPAC name is 1-bicyclo[2.2.1]heptanyl-[2-(2-fluorophenyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name1-bicyclo[2.2.1]heptanyl-[2-(2-fluorophenyl)morpholin-4-yl]methanone
PubChem CID146088807
Molecular FormulaC18H22FNO2
Molecular Weight303.38 g/mol
Exact Mass303.16
IUPAC Name1-bicyclo[2.2.1]heptanyl-[2-(2-fluorophenyl)morpholin-4-yl]methanone
SMILESO=C(N1CCOC(c2ccccc2F)C1)C12CCC(CC1)C2
InChIInChI=1S/C18H22FNO2/c19-15-4-2-1-3-14(15)16-12-20(9-10-22-16)17(21)18-7-5-13(11-18)6-8-18/h1-4,13,16H,5-12H2
InChIKeyJIBUXEICTWVXAO-UHFFFAOYSA-N
XLogP3.31
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-bicyclo[2.2.1]heptanyl-[2-(2-fluorophenyl)morpholin-4-yl]methanone with MolForge

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Related Compounds

[1-(2-fluorophenyl)cyclopropyl]-[2-(2-fluorophenyl)morpholin-4-yl]methanone
CID 110609411
cyclopentyl-[2-(2-fluorophenyl)morpholin-4-yl]methanone
CID 71684127
(4-chlorophenyl)-[2-(2-fluorophenyl)morpholin-4-yl]methanone
CID 110326668
1-adamantyl-[(2S)-2-phenylmorpholin-4-yl]methanone
CID 25281285
2-(2-fluorophenyl)-1-[2-(2-fluorophenyl)morpholin-4-yl]ethanone
CID 110663780
2-cyclopropyl-1-[2-(2-fluorophenyl)morpholin-4-yl]propan-1-one
CID 110609387
trans-(1R,2R)-2-[(2R)-2-(2-fluorophenyl)morpholine-4-carbonyl]cyclopropane-1-carboxylic acid
CID 125132103
2-cyclopentyl-1-[2-(2-fluorophenyl)morpholin-4-yl]propan-1-one
CID 110416436
[(2S)-2-(2-fluorophenyl)morpholin-4-yl]-[(3R)-pyrrolidin-3-yl]methanone
CID 124699072
5-[2-(2-fluorophenyl)morpholine-4-carbonyl]thiophene-2-carboxylic acid
CID 119183971
3-(2-fluorophenyl)-1-[2-(2-fluorophenyl)morpholin-4-yl]propan-1-one
CID 110609345
1-[2-(2-fluorophenyl)morpholin-4-yl]-2-(2-methylphenyl)ethanone
CID 110663777

Frequently Asked Questions

What is the IUPAC name of 1-bicyclo[2.2.1]heptanyl-[2-(2-fluorophenyl)morpholin-4-yl]methanone?
The IUPAC name of 1-bicyclo[2.2.1]heptanyl-[2-(2-fluorophenyl)morpholin-4-yl]methanone (CID 146088807) is 1-bicyclo[2.2.1]heptanyl-[2-(2-fluorophenyl)morpholin-4-yl]methanone.
What is the SMILES notation for 1-bicyclo[2.2.1]heptanyl-[2-(2-fluorophenyl)morpholin-4-yl]methanone?
The canonical SMILES for 1-bicyclo[2.2.1]heptanyl-[2-(2-fluorophenyl)morpholin-4-yl]methanone is O=C(N1CCOC(c2ccccc2F)C1)C12CCC(CC1)C2.
What is the InChIKey of 1-bicyclo[2.2.1]heptanyl-[2-(2-fluorophenyl)morpholin-4-yl]methanone?
The InChIKey is JIBUXEICTWVXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO2/c19-15-4-2-1-3-14(15)16-12-20(9-10-22-16)17(21)18-7-5-13(11-18)6-8-18/h1-4,13,16H,5-12H2.
What are the key properties of 1-bicyclo[2.2.1]heptanyl-[2-(2-fluorophenyl)morpholin-4-yl]methanone?
1-bicyclo[2.2.1]heptanyl-[2-(2-fluorophenyl)morpholin-4-yl]methanone has a molecular weight of 303.38 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bicyclo[2.2.1]heptanyl-[2-(2-fluorophenyl)morpholin-4-yl]methanone is sourced from PubChem (CID 146088807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).