1-(4-fluorophenyl)-4-(3-methylmorpholin-4-yl)butane-1,4-dione

C15H18FNO3 — CID 110309820

IUPAC1-(4-fluorophenyl)-4-(3-methylmorpholin-4-yl)butane-1,4-dione
SMILESCC1COCCN1C(=O)CCC(=O)c1ccc(F)cc1
InChIInChI=1S/C15H18FNO3/c1-11-10-20-9-8-17(11)15(19)7-6-14(18)12-2-4-13(16)5-3-12/h2-5,11H,6-10H2,1H3
InChIKeyKPRXRTGDJRBIST-UHFFFAOYSA-N
MW279.31 g/mol
LogP2.04
Rot. Bonds4

About 1-(4-fluorophenyl)-4-(3-methylmorpholin-4-yl)butane-1,4-dione

1-(4-fluorophenyl)-4-(3-methylmorpholin-4-yl)butane-1,4-dione (PubChem CID 110309820) has the molecular formula C15H18FNO3 and a molecular weight of 279.31 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-(3-methylmorpholin-4-yl)butane-1,4-dione.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-(3-methylmorpholin-4-yl)butane-1,4-dione
PubChem CID110309820
Molecular FormulaC15H18FNO3
Molecular Weight279.31 g/mol
Exact Mass279.13
IUPAC Name1-(4-fluorophenyl)-4-(3-methylmorpholin-4-yl)butane-1,4-dione
SMILESCC1COCCN1C(=O)CCC(=O)c1ccc(F)cc1
InChIInChI=1S/C15H18FNO3/c1-11-10-20-9-8-17(11)15(19)7-6-14(18)12-2-4-13(16)5-3-12/h2-5,11H,6-10H2,1H3
InChIKeyKPRXRTGDJRBIST-UHFFFAOYSA-N
XLogP2.04
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-fluorophenyl)-1-(3-methylmorpholin-4-yl)propan-1-one
CID 110631026
1-(4-fluorophenyl)-3-(3-methylmorpholin-4-yl)propan-1-one
CID 43793076
1-(4-methoxyphenyl)-5-(3-methylmorpholin-4-yl)pentane-1,5-dione
CID 110309824
1-(3-chlorophenyl)-4-(3-methylmorpholin-4-yl)butane-1,4-dione
CID 110631141
4-ethyl-3-(4-fluorophenyl)-1-(3-methylmorpholin-4-yl)hexan-1-one
CID 110354702
4-[(3R)-3-methylmorpholin-4-yl]-4-oxobutanoic acid
CID 93111439
4-[4-(4-methylphenyl)-4-oxobutanoyl]morpholine-3-carboxylic acid
CID 119215840
1-(4-fluorophenyl)-4-(2-methylmorpholin-4-yl)butane-1,4-dione
CID 110310053
1-(4-fluorophenyl)-4-[2-(5-methylfuran-2-yl)pyrrolidin-1-yl]butane-1,4-dione
CID 154748747
1-(3-methylmorpholin-4-yl)-3-sulfanylpropan-1-one
CID 107022927
1-(4-methylphenyl)-4-[(3S)-3-phenacylmorpholin-4-yl]butane-1,4-dione
CID 97320578
(3,4-difluorophenyl)-(3-methylmorpholin-4-yl)methanone
CID 110292238

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-(3-methylmorpholin-4-yl)butane-1,4-dione?
The IUPAC name of 1-(4-fluorophenyl)-4-(3-methylmorpholin-4-yl)butane-1,4-dione (CID 110309820) is 1-(4-fluorophenyl)-4-(3-methylmorpholin-4-yl)butane-1,4-dione.
What is the SMILES notation for 1-(4-fluorophenyl)-4-(3-methylmorpholin-4-yl)butane-1,4-dione?
The canonical SMILES for 1-(4-fluorophenyl)-4-(3-methylmorpholin-4-yl)butane-1,4-dione is CC1COCCN1C(=O)CCC(=O)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-4-(3-methylmorpholin-4-yl)butane-1,4-dione?
The InChIKey is KPRXRTGDJRBIST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO3/c1-11-10-20-9-8-17(11)15(19)7-6-14(18)12-2-4-13(16)5-3-12/h2-5,11H,6-10H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-4-(3-methylmorpholin-4-yl)butane-1,4-dione?
1-(4-fluorophenyl)-4-(3-methylmorpholin-4-yl)butane-1,4-dione has a molecular weight of 279.31 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-(3-methylmorpholin-4-yl)butane-1,4-dione is sourced from PubChem (CID 110309820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).