1-(4-fluorophenyl)-4-(2-phenylmorpholin-4-yl)butan-1-one

C20H22FNO2 — CID 2893561

IUPAC1-(4-fluorophenyl)-4-(2-phenylmorpholin-4-yl)butan-1-one
SMILESO=C(CCCN1CCOC(c2ccccc2)C1)c1ccc(F)cc1
InChIInChI=1S/C20H22FNO2/c21-18-10-8-16(9-11-18)19(23)7-4-12-22-13-14-24-20(15-22)17-5-2-1-3-6-17/h1-3,5-6,8-11,20H,4,7,12-15H2
InChIKeyFAQLEPILVVDIAQ-UHFFFAOYSA-N
MW327.40 g/mol
LogP3.86
Rot. Bonds6

About 1-(4-fluorophenyl)-4-(2-phenylmorpholin-4-yl)butan-1-one

1-(4-fluorophenyl)-4-(2-phenylmorpholin-4-yl)butan-1-one (PubChem CID 2893561) has the molecular formula C20H22FNO2 and a molecular weight of 327.40 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-(2-phenylmorpholin-4-yl)butan-1-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-(2-phenylmorpholin-4-yl)butan-1-one
PubChem CID2893561
Molecular FormulaC20H22FNO2
Molecular Weight327.40 g/mol
Exact Mass327.16
IUPAC Name1-(4-fluorophenyl)-4-(2-phenylmorpholin-4-yl)butan-1-one
SMILESO=C(CCCN1CCOC(c2ccccc2)C1)c1ccc(F)cc1
InChIInChI=1S/C20H22FNO2/c21-18-10-8-16(9-11-18)19(23)7-4-12-22-13-14-24-20(15-22)17-5-2-1-3-6-17/h1-3,5-6,8-11,20H,4,7,12-15H2
InChIKeyFAQLEPILVVDIAQ-UHFFFAOYSA-N
XLogP3.86
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2S)-2-(3-fluorophenyl)morpholin-4-yl]butanoic acid
CID 124606773
3-(2-phenylmorpholin-4-yl)propanoic acid
CID 119134654
N'-[(4-fluorophenyl)methyl]-N-[3-[(2R)-2-phenylmorpholin-4-yl]propyl]oxamide
CID 27557780
(2S)-4-[3-(4-fluorophenyl)sulfonylpropyl]-2-phenylmorpholine
CID 95048529
1-(4-bromophenyl)-3-[2-(4-bromophenyl)morpholin-4-yl]propan-1-one
CID 10766089
1-(4-fluorophenyl)-N-[3-(2-phenylmorpholin-4-yl)propyl]methanesulfonamide
CID 16892839
3-fluoro-N-[4-(2-phenylmorpholin-4-yl)butyl]benzamide
CID 16892619
3,4-difluoro-N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]benzamide
CID 27557872
ethyl 5-[2-(4-fluorophenyl)morpholin-4-yl]pentanoate
CID 56875309
N-[4-(2-phenylmorpholin-4-yl)butyl]-4-(trifluoromethyl)benzamide
CID 16892610
N-(2-fluorophenyl)-3-[2-(4-fluorophenyl)morpholin-4-yl]propanamide
CID 43065711
4-bromo-N-[4-(2-phenylmorpholin-4-yl)butyl]benzamide
CID 16892637

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-(2-phenylmorpholin-4-yl)butan-1-one?
The IUPAC name of 1-(4-fluorophenyl)-4-(2-phenylmorpholin-4-yl)butan-1-one (CID 2893561) is 1-(4-fluorophenyl)-4-(2-phenylmorpholin-4-yl)butan-1-one.
What is the SMILES notation for 1-(4-fluorophenyl)-4-(2-phenylmorpholin-4-yl)butan-1-one?
The canonical SMILES for 1-(4-fluorophenyl)-4-(2-phenylmorpholin-4-yl)butan-1-one is O=C(CCCN1CCOC(c2ccccc2)C1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-4-(2-phenylmorpholin-4-yl)butan-1-one?
The InChIKey is FAQLEPILVVDIAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNO2/c21-18-10-8-16(9-11-18)19(23)7-4-12-22-13-14-24-20(15-22)17-5-2-1-3-6-17/h1-3,5-6,8-11,20H,4,7,12-15H2.
What are the key properties of 1-(4-fluorophenyl)-4-(2-phenylmorpholin-4-yl)butan-1-one?
1-(4-fluorophenyl)-4-(2-phenylmorpholin-4-yl)butan-1-one has a molecular weight of 327.40 g/mol, XLogP of 3.86, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-(2-phenylmorpholin-4-yl)butan-1-one is sourced from PubChem (CID 2893561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).