[(3R,5R)-3,5-dimethylmorpholin-4-yl]-(3-fluorophenyl)methanone

C13H16FNO2 — CID 178076386

IUPAC[(3R,5R)-3,5-dimethylmorpholin-4-yl]-(3-fluorophenyl)methanone
SMILESC[C@@H]1COC[C@@H](C)N1C(=O)c1cccc(F)c1
InChIInChI=1S/C13H16FNO2/c1-9-7-17-8-10(2)15(9)13(16)11-4-3-5-12(14)6-11/h3-6,9-10H,7-8H2,1-2H3/t9-,10-/m1/s1
InChIKeyQZSWVXQUDXUUGZ-NXEZZACHSA-N
MW237.27 g/mol
LogP2.08
Rot. Bonds1

About [(3R,5R)-3,5-dimethylmorpholin-4-yl]-(3-fluorophenyl)methanone

[(3R,5R)-3,5-dimethylmorpholin-4-yl]-(3-fluorophenyl)methanone (PubChem CID 178076386) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is [(3R,5R)-3,5-dimethylmorpholin-4-yl]-(3-fluorophenyl)methanone.

Molecular Properties

Compound Name[(3R,5R)-3,5-dimethylmorpholin-4-yl]-(3-fluorophenyl)methanone
PubChem CID178076386
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC Name[(3R,5R)-3,5-dimethylmorpholin-4-yl]-(3-fluorophenyl)methanone
SMILESC[C@@H]1COC[C@@H](C)N1C(=O)c1cccc(F)c1
InChIInChI=1S/C13H16FNO2/c1-9-7-17-8-10(2)15(9)13(16)11-4-3-5-12(14)6-11/h3-6,9-10H,7-8H2,1-2H3/t9-,10-/m1/s1
InChIKeyQZSWVXQUDXUUGZ-NXEZZACHSA-N
XLogP2.08
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3,5-dimethylmorpholin-4-yl)-(3-pyrrol-1-ylphenyl)methanone
CID 110309886
(3,4-dichlorophenyl)-(3,5-dimethylmorpholin-4-yl)methanone
CID 110292311
(3-fluorophenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone
CID 110662297
4-[(3R,5R)-3,5-dimethylmorpholine-4-carbonyl]benzoic acid
CID 118918329
[2-(chloromethyl)-5-methylmorpholin-4-yl]-(3-fluorophenyl)methanone
CID 81211311
[3-[(2-chlorophenyl)methoxy]phenyl]-(3,5-dimethylmorpholin-4-yl)methanone
CID 43889704
[(2S,6S)-2,6-dimethylpiperidin-1-yl]-(3-methylphenyl)methanone
CID 791598
(3-fluorophenyl)-(2-methylpiperazin-1-yl)methanone
CID 62672072
[(2R,6S)-2,6-dimethylpiperidin-1-yl]-(3-iodophenyl)methanone
CID 103715014
[(2S,6R)-2,6-dimethylpiperidin-1-yl]-(3-sulfanylphenyl)methanone
CID 107036490
(3-fluorophenyl)-[(2S)-2-methylpiperazin-1-yl]methanone;hydrochloride
CID 68757495
(4,4-dimethyl-1,3-oxazolidin-3-yl)-(3-fluorophenyl)methanone
CID 110740612

Frequently Asked Questions

What is the IUPAC name of [(3R,5R)-3,5-dimethylmorpholin-4-yl]-(3-fluorophenyl)methanone?
The IUPAC name of [(3R,5R)-3,5-dimethylmorpholin-4-yl]-(3-fluorophenyl)methanone (CID 178076386) is [(3R,5R)-3,5-dimethylmorpholin-4-yl]-(3-fluorophenyl)methanone.
What is the SMILES notation for [(3R,5R)-3,5-dimethylmorpholin-4-yl]-(3-fluorophenyl)methanone?
The canonical SMILES for [(3R,5R)-3,5-dimethylmorpholin-4-yl]-(3-fluorophenyl)methanone is C[C@@H]1COC[C@@H](C)N1C(=O)c1cccc(F)c1.
What is the InChIKey of [(3R,5R)-3,5-dimethylmorpholin-4-yl]-(3-fluorophenyl)methanone?
The InChIKey is QZSWVXQUDXUUGZ-NXEZZACHSA-N. The full InChI is InChI=1S/C13H16FNO2/c1-9-7-17-8-10(2)15(9)13(16)11-4-3-5-12(14)6-11/h3-6,9-10H,7-8H2,1-2H3/t9-,10-/m1/s1.
What are the key properties of [(3R,5R)-3,5-dimethylmorpholin-4-yl]-(3-fluorophenyl)methanone?
[(3R,5R)-3,5-dimethylmorpholin-4-yl]-(3-fluorophenyl)methanone has a molecular weight of 237.27 g/mol, XLogP of 2.08, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,5R)-3,5-dimethylmorpholin-4-yl]-(3-fluorophenyl)methanone is sourced from PubChem (CID 178076386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).