2-(3-fluorophenyl)-1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-morpholin-4-ylethanone

C16H21FN2O3 — CID 111561979

IUPAC2-(3-fluorophenyl)-1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-morpholin-4-ylethanone
SMILESO=C(C(c1cccc(F)c1)N1CCOCC1)N1CC[C@@H](O)C1
InChIInChI=1S/C16H21FN2O3/c17-13-3-1-2-12(10-13)15(18-6-8-22-9-7-18)16(21)19-5-4-14(20)11-19/h1-3,10,14-15,20H,4-9,11H2/t14-,15?/m1/s1
InChIKeyMIZOKTDUQFAHKP-GICMACPYSA-N
MW308.35 g/mol
LogP0.79
Rot. Bonds3

About 2-(3-fluorophenyl)-1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-morpholin-4-ylethanone

2-(3-fluorophenyl)-1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-morpholin-4-ylethanone (PubChem CID 111561979) has the molecular formula C16H21FN2O3 and a molecular weight of 308.35 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-(3-fluorophenyl)-1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-morpholin-4-ylethanone
PubChem CID111561979
Molecular FormulaC16H21FN2O3
Molecular Weight308.35 g/mol
Exact Mass308.15
IUPAC Name2-(3-fluorophenyl)-1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-morpholin-4-ylethanone
SMILESO=C(C(c1cccc(F)c1)N1CCOCC1)N1CC[C@@H](O)C1
InChIInChI=1S/C16H21FN2O3/c17-13-3-1-2-12(10-13)15(18-6-8-22-9-7-18)16(21)19-5-4-14(20)11-19/h1-3,10,14-15,20H,4-9,11H2/t14-,15?/m1/s1
InChIKeyMIZOKTDUQFAHKP-GICMACPYSA-N
XLogP0.79
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-fluorophenyl)-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one
CID 111561844
methyl 2-(3-fluorophenyl)-2-morpholin-4-ylacetate
CID 116860419
2-(4-hydroxypiperidin-1-yl)-1-morpholin-4-yl-2-phenylethanone
CID 42886214
2-(4-hydroxypiperidin-1-yl)-1-(3-morpholin-4-ylpyrrolidin-1-yl)-2-phenylethanone
CID 127361433
1,2-dimorpholin-4-yl-2-phenylethanone
CID 657415
2-(3-fluorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-morpholin-4-ylacetamide
CID 120947167
(3-fluorophenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66261910
2-(3-hydroxyphenyl)-1-(4-hydroxypiperidin-1-yl)-2-piperazin-1-ylethanone
CID 83977979
(2S)-2-[[(2S)-2-(3-fluorophenyl)-2-morpholin-4-ylacetyl]-methylamino]propanoic acid
CID 125134200
N-(3-aminobutyl)-2-(3-fluorophenyl)-2-morpholin-4-ylacetamide;dihydrochloride
CID 119499108
2-(3-cyclopropylphenyl)-2-morpholin-4-ylacetic acid
CID 79981052
1,2-dimorpholin-4-yl-2-phenylethanone;hydrochloride
CID 6603248

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-morpholin-4-ylethanone?
The IUPAC name of 2-(3-fluorophenyl)-1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-morpholin-4-ylethanone (CID 111561979) is 2-(3-fluorophenyl)-1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-morpholin-4-ylethanone.
What is the SMILES notation for 2-(3-fluorophenyl)-1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-morpholin-4-ylethanone?
The canonical SMILES for 2-(3-fluorophenyl)-1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-morpholin-4-ylethanone is O=C(C(c1cccc(F)c1)N1CCOCC1)N1CC[C@@H](O)C1.
What is the InChIKey of 2-(3-fluorophenyl)-1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-morpholin-4-ylethanone?
The InChIKey is MIZOKTDUQFAHKP-GICMACPYSA-N. The full InChI is InChI=1S/C16H21FN2O3/c17-13-3-1-2-12(10-13)15(18-6-8-22-9-7-18)16(21)19-5-4-14(20)11-19/h1-3,10,14-15,20H,4-9,11H2/t14-,15?/m1/s1.
What are the key properties of 2-(3-fluorophenyl)-1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-morpholin-4-ylethanone?
2-(3-fluorophenyl)-1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-morpholin-4-ylethanone has a molecular weight of 308.35 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-morpholin-4-ylethanone is sourced from PubChem (CID 111561979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).