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

C14H18FNO2 — CID 43793076

IUPAC1-(4-fluorophenyl)-3-(3-methylmorpholin-4-yl)propan-1-one
SMILESCC1COCCN1CCC(=O)c1ccc(F)cc1
InChIInChI=1S/C14H18FNO2/c1-11-10-18-9-8-16(11)7-6-14(17)12-2-4-13(15)5-3-12/h2-5,11H,6-10H2,1H3
InChIKeyVWLDSMTYJYAMRQ-UHFFFAOYSA-N
MW251.30 g/mol
LogP2.12
Rot. Bonds4

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

1-(4-fluorophenyl)-3-(3-methylmorpholin-4-yl)propan-1-one (PubChem CID 43793076) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-(3-methylmorpholin-4-yl)propan-1-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-(3-methylmorpholin-4-yl)propan-1-one
PubChem CID43793076
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name1-(4-fluorophenyl)-3-(3-methylmorpholin-4-yl)propan-1-one
SMILESCC1COCCN1CCC(=O)c1ccc(F)cc1
InChIInChI=1S/C14H18FNO2/c1-11-10-18-9-8-16(11)7-6-14(17)12-2-4-13(15)5-3-12/h2-5,11H,6-10H2,1H3
InChIKeyVWLDSMTYJYAMRQ-UHFFFAOYSA-N
XLogP2.12
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)-4-(3-methylmorpholin-4-yl)butane-1,4-dione
CID 110309820
1-(2-fluorophenyl)-3-(3-methylmorpholin-4-yl)propan-1-one
CID 62619030
3-(3-methylmorpholin-4-yl)propanoic acid
CID 43542324
4-[3-(4-fluorophenyl)-3-oxopropyl]-3-methylpiperazine-2,6-dione
CID 66062553
4-(2,4-dimethylpiperidin-1-yl)-1-(4-fluorophenyl)butan-1-one
CID 62330528
3-(4-fluorophenyl)-1-(3-methylmorpholin-4-yl)propan-1-one
CID 110631026
3-[3-(4-fluorophenyl)-3-oxopropyl]-1,3-oxazolidin-2-one
CID 62023163
1-(4-methylphenyl)-3-(2-methylpyrrolidin-1-yl)propan-1-one
CID 62612304
N-(2-aminophenyl)-3-(3-methylmorpholin-4-yl)propanamide
CID 43541694
2-(3-methylmorpholin-4-yl)ethanol
CID 43542486
2-[(3S)-3-methylmorpholin-4-yl]ethanol
CID 67078018
3-(1,1-dioxo-1,4-thiazinan-4-yl)-1-(4-fluorophenyl)propan-1-one
CID 43793154

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-(3-methylmorpholin-4-yl)propan-1-one?
The IUPAC name of 1-(4-fluorophenyl)-3-(3-methylmorpholin-4-yl)propan-1-one (CID 43793076) is 1-(4-fluorophenyl)-3-(3-methylmorpholin-4-yl)propan-1-one.
What is the SMILES notation for 1-(4-fluorophenyl)-3-(3-methylmorpholin-4-yl)propan-1-one?
The canonical SMILES for 1-(4-fluorophenyl)-3-(3-methylmorpholin-4-yl)propan-1-one is CC1COCCN1CCC(=O)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-(3-methylmorpholin-4-yl)propan-1-one?
The InChIKey is VWLDSMTYJYAMRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-11-10-18-9-8-16(11)7-6-14(17)12-2-4-13(15)5-3-12/h2-5,11H,6-10H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-3-(3-methylmorpholin-4-yl)propan-1-one?
1-(4-fluorophenyl)-3-(3-methylmorpholin-4-yl)propan-1-one has a molecular weight of 251.30 g/mol, XLogP of 2.12, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-(3-methylmorpholin-4-yl)propan-1-one is sourced from PubChem (CID 43793076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).