2-[2-(4-fluorophenyl)morpholine-4-carbonyl]cyclopropane-1-carboxylic acid

C15H16FNO4 — CID 60949473

IUPAC2-[2-(4-fluorophenyl)morpholine-4-carbonyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1C(=O)N1CCOC(c2ccc(F)cc2)C1
InChIInChI=1S/C15H16FNO4/c16-10-3-1-9(2-4-10)13-8-17(5-6-21-13)14(18)11-7-12(11)15(19)20/h1-4,11-13H,5-8H2,(H,19,20)
InChIKeyQZFLOAKNIZIQDC-UHFFFAOYSA-N
MW293.29 g/mol
LogP1.45
Rot. Bonds3

About 2-[2-(4-fluorophenyl)morpholine-4-carbonyl]cyclopropane-1-carboxylic acid

2-[2-(4-fluorophenyl)morpholine-4-carbonyl]cyclopropane-1-carboxylic acid (PubChem CID 60949473) has the molecular formula C15H16FNO4 and a molecular weight of 293.29 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)morpholine-4-carbonyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)morpholine-4-carbonyl]cyclopropane-1-carboxylic acid
PubChem CID60949473
Molecular FormulaC15H16FNO4
Molecular Weight293.29 g/mol
Exact Mass293.11
IUPAC Name2-[2-(4-fluorophenyl)morpholine-4-carbonyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1C(=O)N1CCOC(c2ccc(F)cc2)C1
InChIInChI=1S/C15H16FNO4/c16-10-3-1-9(2-4-10)13-8-17(5-6-21-13)14(18)11-7-12(11)15(19)20/h1-4,11-13H,5-8H2,(H,19,20)
InChIKeyQZFLOAKNIZIQDC-UHFFFAOYSA-N
XLogP1.45
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(4-fluorophenyl)cyclopropyl]-(2-phenylmorpholin-4-yl)methanone
CID 134040067
trans-(1R,2R)-2-[(2R)-2-(2-fluorophenyl)morpholine-4-carbonyl]cyclopropane-1-carboxylic acid
CID 125132103
cyclopropyl-[4-[2-(4-fluorophenyl)morpholine-4-carbonyl]piperidin-1-yl]methanone
CID 134044230
3-[2-(4-fluorophenyl)morpholin-4-yl]-3-oxopropanoic acid
CID 62231452
[2-(4-fluorophenyl)morpholin-4-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride
CID 120615823
1-chloroethenyl (2R)-2-(4-fluorophenyl)morpholine-4-carboxylate
CID 174559553
(5S)-5-[(2R)-2-(4-fluorophenyl)morpholine-4-carbonyl]piperidin-2-one
CID 94159203
2-chloro-1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]ethanone
CID 51889846
methyl (2S)-2-(4-fluorophenyl)morpholine-4-carboxylate
CID 67353366
[2-(4-fluorophenyl)morpholin-4-yl]-[(2S)-pyrrolidin-2-yl]methanone;hydrochloride
CID 119112320
2-cyclopentyl-1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]ethanone
CID 94823425
[2-(4-fluorophenyl)morpholin-4-yl]-piperidin-3-ylmethanone
CID 60963365

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)morpholine-4-carbonyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[2-(4-fluorophenyl)morpholine-4-carbonyl]cyclopropane-1-carboxylic acid (CID 60949473) is 2-[2-(4-fluorophenyl)morpholine-4-carbonyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[2-(4-fluorophenyl)morpholine-4-carbonyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[2-(4-fluorophenyl)morpholine-4-carbonyl]cyclopropane-1-carboxylic acid is O=C(O)C1CC1C(=O)N1CCOC(c2ccc(F)cc2)C1.
What is the InChIKey of 2-[2-(4-fluorophenyl)morpholine-4-carbonyl]cyclopropane-1-carboxylic acid?
The InChIKey is QZFLOAKNIZIQDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO4/c16-10-3-1-9(2-4-10)13-8-17(5-6-21-13)14(18)11-7-12(11)15(19)20/h1-4,11-13H,5-8H2,(H,19,20).
What are the key properties of 2-[2-(4-fluorophenyl)morpholine-4-carbonyl]cyclopropane-1-carboxylic acid?
2-[2-(4-fluorophenyl)morpholine-4-carbonyl]cyclopropane-1-carboxylic acid has a molecular weight of 293.29 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)morpholine-4-carbonyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 60949473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).