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

C20H23ClFNO2 — CID 2893560

IUPAC1-(4-fluorophenyl)-4-(2-phenylmorpholin-4-yl)butan-1-one;hydrochloride
SMILESCl.O=C(CCCN1CCOC(c2ccccc2)C1)c1ccc(F)cc1
InChIInChI=1S/C20H22FNO2.ClH/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;1H
InChIKeyXYKCVEKSVCTUGD-UHFFFAOYSA-N
MW363.86 g/mol
LogP4.28
Rot. Bonds6

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

1-(4-fluorophenyl)-4-(2-phenylmorpholin-4-yl)butan-1-one;hydrochloride (PubChem CID 2893560) has the molecular formula C20H23ClFNO2 and a molecular weight of 363.86 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-(2-phenylmorpholin-4-yl)butan-1-one;hydrochloride.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-(2-phenylmorpholin-4-yl)butan-1-one;hydrochloride
PubChem CID2893560
Molecular FormulaC20H23ClFNO2
Molecular Weight363.86 g/mol
Exact Mass363.14
IUPAC Name1-(4-fluorophenyl)-4-(2-phenylmorpholin-4-yl)butan-1-one;hydrochloride
SMILESCl.O=C(CCCN1CCOC(c2ccccc2)C1)c1ccc(F)cc1
InChIInChI=1S/C20H22FNO2.ClH/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;1H
InChIKeyXYKCVEKSVCTUGD-UHFFFAOYSA-N
XLogP4.28
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.86
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-(2-phenylmorpholin-4-yl)butan-1-one;hydrochloride?
The IUPAC name of 1-(4-fluorophenyl)-4-(2-phenylmorpholin-4-yl)butan-1-one;hydrochloride (CID 2893560) is 1-(4-fluorophenyl)-4-(2-phenylmorpholin-4-yl)butan-1-one;hydrochloride.
What is the SMILES notation for 1-(4-fluorophenyl)-4-(2-phenylmorpholin-4-yl)butan-1-one;hydrochloride?
The canonical SMILES for 1-(4-fluorophenyl)-4-(2-phenylmorpholin-4-yl)butan-1-one;hydrochloride is Cl.O=C(CCCN1CCOC(c2ccccc2)C1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-4-(2-phenylmorpholin-4-yl)butan-1-one;hydrochloride?
The InChIKey is XYKCVEKSVCTUGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNO2.ClH/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;1H.
What are the key properties of 1-(4-fluorophenyl)-4-(2-phenylmorpholin-4-yl)butan-1-one;hydrochloride?
1-(4-fluorophenyl)-4-(2-phenylmorpholin-4-yl)butan-1-one;hydrochloride has a molecular weight of 363.86 g/mol, XLogP of 4.28, 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;hydrochloride is sourced from PubChem (CID 2893560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).