1-[2-(3-fluorophenyl)morpholin-4-yl]-2-pyrrolidin-2-ylethanone;hydrochloride

C16H22ClFN2O2 — CID 119770443

IUPAC1-[2-(3-fluorophenyl)morpholin-4-yl]-2-pyrrolidin-2-ylethanone;hydrochloride
SMILESCl.O=C(CC1CCCN1)N1CCOC(c2cccc(F)c2)C1
InChIInChI=1S/C16H21FN2O2.ClH/c17-13-4-1-3-12(9-13)15-11-19(7-8-21-15)16(20)10-14-5-2-6-18-14;/h1,3-4,9,14-15,18H,2,5-8,10-11H2;1H
InChIKeyYYYRBGQFQCUALI-UHFFFAOYSA-N
MW328.81 g/mol
LogP2.29
Rot. Bonds3

About 1-[2-(3-fluorophenyl)morpholin-4-yl]-2-pyrrolidin-2-ylethanone;hydrochloride

1-[2-(3-fluorophenyl)morpholin-4-yl]-2-pyrrolidin-2-ylethanone;hydrochloride (PubChem CID 119770443) has the molecular formula C16H22ClFN2O2 and a molecular weight of 328.81 g/mol. Its IUPAC name is 1-[2-(3-fluorophenyl)morpholin-4-yl]-2-pyrrolidin-2-ylethanone;hydrochloride.

Molecular Properties

Compound Name1-[2-(3-fluorophenyl)morpholin-4-yl]-2-pyrrolidin-2-ylethanone;hydrochloride
PubChem CID119770443
Molecular FormulaC16H22ClFN2O2
Molecular Weight328.81 g/mol
Exact Mass328.14
IUPAC Name1-[2-(3-fluorophenyl)morpholin-4-yl]-2-pyrrolidin-2-ylethanone;hydrochloride
SMILESCl.O=C(CC1CCCN1)N1CCOC(c2cccc(F)c2)C1
InChIInChI=1S/C16H21FN2O2.ClH/c17-13-4-1-3-12(9-13)15-11-19(7-8-21-15)16(20)10-14-5-2-6-18-14;/h1,3-4,9,14-15,18H,2,5-8,10-11H2;1H
InChIKeyYYYRBGQFQCUALI-UHFFFAOYSA-N
XLogP2.29
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.81
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-[2-(3-fluorophenyl)morpholin-4-yl]propan-1-one;hydrochloride
CID 119315907
2-(cyclopropylmethylamino)-1-[2-(3-fluorophenyl)morpholin-4-yl]ethanone;hydrochloride
CID 119770425
7-amino-1-[2-(3-fluorophenyl)morpholin-4-yl]heptan-1-one;hydrochloride
CID 119770399
(1-aminocyclopropyl)-[2-(3-fluorophenyl)morpholin-4-yl]methanone;hydrochloride
CID 119770397
1-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]-2-pyrrolidin-2-ylethanone
CID 119793879
2-cyclopentyl-1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]ethanone
CID 94823425
(2S)-N-(2-cyclobutylethyl)-2-(3-fluorophenyl)morpholine-4-carboxamide
CID 99814956
1-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-2-pyrrolidin-2-ylethanone;hydrochloride
CID 119799317
4-[2-(3-fluorophenyl)morpholine-4-carbonyl]benzoic acid
CID 119183981
2-amino-1-[2-(3-fluorophenyl)morpholin-4-yl]-3-methylpentan-1-one;hydrochloride
CID 119770437
1-(2-phenylmorpholin-4-yl)-2-piperidin-3-ylethanone
CID 62676153
[2-(4-fluorophenyl)morpholin-4-yl]-[(2S)-pyrrolidin-2-yl]methanone;hydrochloride
CID 119112320

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluorophenyl)morpholin-4-yl]-2-pyrrolidin-2-ylethanone;hydrochloride?
The IUPAC name of 1-[2-(3-fluorophenyl)morpholin-4-yl]-2-pyrrolidin-2-ylethanone;hydrochloride (CID 119770443) is 1-[2-(3-fluorophenyl)morpholin-4-yl]-2-pyrrolidin-2-ylethanone;hydrochloride.
What is the SMILES notation for 1-[2-(3-fluorophenyl)morpholin-4-yl]-2-pyrrolidin-2-ylethanone;hydrochloride?
The canonical SMILES for 1-[2-(3-fluorophenyl)morpholin-4-yl]-2-pyrrolidin-2-ylethanone;hydrochloride is Cl.O=C(CC1CCCN1)N1CCOC(c2cccc(F)c2)C1.
What is the InChIKey of 1-[2-(3-fluorophenyl)morpholin-4-yl]-2-pyrrolidin-2-ylethanone;hydrochloride?
The InChIKey is YYYRBGQFQCUALI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O2.ClH/c17-13-4-1-3-12(9-13)15-11-19(7-8-21-15)16(20)10-14-5-2-6-18-14;/h1,3-4,9,14-15,18H,2,5-8,10-11H2;1H.
What are the key properties of 1-[2-(3-fluorophenyl)morpholin-4-yl]-2-pyrrolidin-2-ylethanone;hydrochloride?
1-[2-(3-fluorophenyl)morpholin-4-yl]-2-pyrrolidin-2-ylethanone;hydrochloride has a molecular weight of 328.81 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluorophenyl)morpholin-4-yl]-2-pyrrolidin-2-ylethanone;hydrochloride is sourced from PubChem (CID 119770443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).