[(2S)-2-[(4-fluorophenyl)methyl]morpholin-4-yl]-(1-methylcyclopropyl)methanone

C16H20FNO2 — CID 95126263

IUPAC[(2S)-2-[(4-fluorophenyl)methyl]morpholin-4-yl]-(1-methylcyclopropyl)methanone
SMILESCC1(C(=O)N2CCO[C@@H](Cc3ccc(F)cc3)C2)CC1
InChIInChI=1S/C16H20FNO2/c1-16(6-7-16)15(19)18-8-9-20-14(11-18)10-12-2-4-13(17)5-3-12/h2-5,14H,6-11H2,1H3/t14-/m0/s1
InChIKeyYUSWLNZVXROMGQ-AWEZNQCLSA-N
MW277.34 g/mol
LogP2.40
Rot. Bonds3

About [(2S)-2-[(4-fluorophenyl)methyl]morpholin-4-yl]-(1-methylcyclopropyl)methanone

[(2S)-2-[(4-fluorophenyl)methyl]morpholin-4-yl]-(1-methylcyclopropyl)methanone (PubChem CID 95126263) has the molecular formula C16H20FNO2 and a molecular weight of 277.34 g/mol. Its IUPAC name is [(2S)-2-[(4-fluorophenyl)methyl]morpholin-4-yl]-(1-methylcyclopropyl)methanone.

Molecular Properties

Compound Name[(2S)-2-[(4-fluorophenyl)methyl]morpholin-4-yl]-(1-methylcyclopropyl)methanone
PubChem CID95126263
Molecular FormulaC16H20FNO2
Molecular Weight277.34 g/mol
Exact Mass277.15
IUPAC Name[(2S)-2-[(4-fluorophenyl)methyl]morpholin-4-yl]-(1-methylcyclopropyl)methanone
SMILESCC1(C(=O)N2CCO[C@@H](Cc3ccc(F)cc3)C2)CC1
InChIInChI=1S/C16H20FNO2/c1-16(6-7-16)15(19)18-8-9-20-14(11-18)10-12-2-4-13(17)5-3-12/h2-5,14H,6-11H2,1H3/t14-/m0/s1
InChIKeyYUSWLNZVXROMGQ-AWEZNQCLSA-N
XLogP2.40
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]ethanone
CID 102604185
(3,5-dimethylfuran-2-yl)-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]methanone
CID 45169829
(3,5-dimethylfuran-2-yl)-[(2S)-2-[(4-fluorophenyl)methyl]morpholin-4-yl]methanone
CID 42115591
1-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]-3-(1,2-oxazolidin-2-yl)propan-1-one
CID 45174765
[(2S)-2-[(4-fluorophenyl)methyl]morpholin-4-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 25313075
1-[2-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]-2-oxoethyl]pyrrolidin-2-one
CID 45215299
3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]propan-1-one
CID 45209998
[2-(methylaminomethyl)morpholin-4-yl]-(1-methylcyclohexyl)methanone
CID 106828083
2-[(2S)-4-[1-(4-fluorophenyl)cyclobutanecarbonyl]morpholin-2-yl]acetic acid
CID 124702479
2-[(2R)-2-[(4-fluorophenyl)methyl]morpholin-4-yl]ethanol
CID 95563200
2-[4-[4-(4-fluorophenyl)oxane-4-carbonyl]morpholin-2-yl]acetic acid
CID 119248615
(4-fluorophenyl)-[(2R)-2-[(3-methoxyphenyl)methyl]morpholin-4-yl]methanone
CID 124942356

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[(4-fluorophenyl)methyl]morpholin-4-yl]-(1-methylcyclopropyl)methanone?
The IUPAC name of [(2S)-2-[(4-fluorophenyl)methyl]morpholin-4-yl]-(1-methylcyclopropyl)methanone (CID 95126263) is [(2S)-2-[(4-fluorophenyl)methyl]morpholin-4-yl]-(1-methylcyclopropyl)methanone.
What is the SMILES notation for [(2S)-2-[(4-fluorophenyl)methyl]morpholin-4-yl]-(1-methylcyclopropyl)methanone?
The canonical SMILES for [(2S)-2-[(4-fluorophenyl)methyl]morpholin-4-yl]-(1-methylcyclopropyl)methanone is CC1(C(=O)N2CCO[C@@H](Cc3ccc(F)cc3)C2)CC1.
What is the InChIKey of [(2S)-2-[(4-fluorophenyl)methyl]morpholin-4-yl]-(1-methylcyclopropyl)methanone?
The InChIKey is YUSWLNZVXROMGQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H20FNO2/c1-16(6-7-16)15(19)18-8-9-20-14(11-18)10-12-2-4-13(17)5-3-12/h2-5,14H,6-11H2,1H3/t14-/m0/s1.
What are the key properties of [(2S)-2-[(4-fluorophenyl)methyl]morpholin-4-yl]-(1-methylcyclopropyl)methanone?
[(2S)-2-[(4-fluorophenyl)methyl]morpholin-4-yl]-(1-methylcyclopropyl)methanone has a molecular weight of 277.34 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[(4-fluorophenyl)methyl]morpholin-4-yl]-(1-methylcyclopropyl)methanone is sourced from PubChem (CID 95126263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).