3-(4-fluorophenyl)-1-(3-methylmorpholin-4-yl)propan-1-one

C14H18FNO2 — CID 110631026

IUPAC3-(4-fluorophenyl)-1-(3-methylmorpholin-4-yl)propan-1-one
SMILESCC1COCCN1C(=O)CCc1ccc(F)cc1
InChIInChI=1S/C14H18FNO2/c1-11-10-18-9-8-16(11)14(17)7-4-12-2-5-13(15)6-3-12/h2-3,5-6,11H,4,7-10H2,1H3
InChIKeyFBIAQIJUSKJFIC-UHFFFAOYSA-N
MW251.30 g/mol
LogP2.01
Rot. Bonds3

About 3-(4-fluorophenyl)-1-(3-methylmorpholin-4-yl)propan-1-one

3-(4-fluorophenyl)-1-(3-methylmorpholin-4-yl)propan-1-one (PubChem CID 110631026) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-(3-methylmorpholin-4-yl)propan-1-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1-(3-methylmorpholin-4-yl)propan-1-one
PubChem CID110631026
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name3-(4-fluorophenyl)-1-(3-methylmorpholin-4-yl)propan-1-one
SMILESCC1COCCN1C(=O)CCc1ccc(F)cc1
InChIInChI=1S/C14H18FNO2/c1-11-10-18-9-8-16(11)14(17)7-4-12-2-5-13(15)6-3-12/h2-3,5-6,11H,4,7-10H2,1H3
InChIKeyFBIAQIJUSKJFIC-UHFFFAOYSA-N
XLogP2.01
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluorophenyl)-4-(3-methylmorpholin-4-yl)butane-1,4-dione
CID 110309820
3-(3-aminophenyl)-1-[(3R)-3-methylmorpholin-4-yl]propan-1-one
CID 93112029
1-[(3S)-3-methylmorpholin-4-yl]-3-(5-phenyl-1H-pyrrol-2-yl)propan-1-one
CID 94647439
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
1-(3-methylmorpholin-4-yl)-3-sulfanylpropan-1-one
CID 107022927
4-(3-chlorophenyl)-1-(3-methylmorpholin-4-yl)butan-1-one
CID 110631138
3-(4-ethylphenyl)-1-[(3S)-3-[(1S,2R)-2-hydroxycyclopentyl]morpholin-4-yl]propan-1-one
CID 129486670
4-amino-1-[(3R)-3-methylmorpholin-4-yl]butan-1-one
CID 93111675
3-phenyl-1-(3-phenylmorpholin-4-yl)propan-1-one
CID 110728347
2-(4-fluorophenyl)-1-[3-(4-fluorophenyl)morpholin-4-yl]ethanone
CID 110663846
1-(2-cyclopropylpyrrolidin-1-yl)-3-(4-fluorophenyl)propan-1-one
CID 136523441

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-1-(3-methylmorpholin-4-yl)propan-1-one?
The IUPAC name of 3-(4-fluorophenyl)-1-(3-methylmorpholin-4-yl)propan-1-one (CID 110631026) is 3-(4-fluorophenyl)-1-(3-methylmorpholin-4-yl)propan-1-one.
What is the SMILES notation for 3-(4-fluorophenyl)-1-(3-methylmorpholin-4-yl)propan-1-one?
The canonical SMILES for 3-(4-fluorophenyl)-1-(3-methylmorpholin-4-yl)propan-1-one is CC1COCCN1C(=O)CCc1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-1-(3-methylmorpholin-4-yl)propan-1-one?
The InChIKey is FBIAQIJUSKJFIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-11-10-18-9-8-16(11)14(17)7-4-12-2-5-13(15)6-3-12/h2-3,5-6,11H,4,7-10H2,1H3.
What are the key properties of 3-(4-fluorophenyl)-1-(3-methylmorpholin-4-yl)propan-1-one?
3-(4-fluorophenyl)-1-(3-methylmorpholin-4-yl)propan-1-one has a molecular weight of 251.30 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-1-(3-methylmorpholin-4-yl)propan-1-one is sourced from PubChem (CID 110631026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).