1-(4-fluorophenyl)-3-(1,4-oxazepan-4-yl)propan-2-one

C14H18FNO2 — CID 62973974

IUPAC1-(4-fluorophenyl)-3-(1,4-oxazepan-4-yl)propan-2-one
SMILESO=C(Cc1ccc(F)cc1)CN1CCCOCC1
InChIInChI=1S/C14H18FNO2/c15-13-4-2-12(3-5-13)10-14(17)11-16-6-1-8-18-9-7-16/h2-5H,1,6-11H2
InChIKeyLTFDXBWITYNXDI-UHFFFAOYSA-N
MW251.30 g/mol
LogP1.66
Rot. Bonds4

About 1-(4-fluorophenyl)-3-(1,4-oxazepan-4-yl)propan-2-one

1-(4-fluorophenyl)-3-(1,4-oxazepan-4-yl)propan-2-one (PubChem CID 62973974) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-(1,4-oxazepan-4-yl)propan-2-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-(1,4-oxazepan-4-yl)propan-2-one
PubChem CID62973974
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name1-(4-fluorophenyl)-3-(1,4-oxazepan-4-yl)propan-2-one
SMILESO=C(Cc1ccc(F)cc1)CN1CCCOCC1
InChIInChI=1S/C14H18FNO2/c15-13-4-2-12(3-5-13)10-14(17)11-16-6-1-8-18-9-7-16/h2-5H,1,6-11H2
InChIKeyLTFDXBWITYNXDI-UHFFFAOYSA-N
XLogP1.66
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 ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(4-fluorophenyl)propan-2-one
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1-(3,4-dichlorophenyl)-3-morpholin-4-ylpropan-2-one
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1-(4-fluorophenyl)-3-(4-hydroxy-4-methylpiperidin-1-yl)propan-2-one
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1-(4-fluorophenyl)-3-(4-prop-2-enoylpiperazin-1-yl)propan-2-one
CID 160809452
N-[4-(3-morpholin-4-yl-2-oxopropyl)phenyl]methanesulfonamide
CID 67707285
1-(4-fluorophenyl)-3-(4-propylpiperidin-1-yl)propan-2-one
CID 62206992
1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-3-(4-iodophenyl)propan-2-one;dihydrochloride
CID 67730424
1-(azepan-1-yl)-3-phenylpropan-2-one
CID 43794492
1,3-dimorpholin-4-ylpropan-2-one
CID 139559066
2-(4-fluorophenyl)-1-[4-(morpholine-4-carbonyl)piperazin-1-yl]ethanone
CID 110365721
1-(4-fluorophenyl)-3-(3-hydroxy-3-methylpyrrolidin-1-yl)propan-2-one
CID 103356858
4-[3-(4-fluorophenyl)-2-oxopropyl]-N-methylmorpholine-3-carboxamide
CID 83101284

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-(1,4-oxazepan-4-yl)propan-2-one?
The IUPAC name of 1-(4-fluorophenyl)-3-(1,4-oxazepan-4-yl)propan-2-one (CID 62973974) is 1-(4-fluorophenyl)-3-(1,4-oxazepan-4-yl)propan-2-one.
What is the SMILES notation for 1-(4-fluorophenyl)-3-(1,4-oxazepan-4-yl)propan-2-one?
The canonical SMILES for 1-(4-fluorophenyl)-3-(1,4-oxazepan-4-yl)propan-2-one is O=C(Cc1ccc(F)cc1)CN1CCCOCC1.
What is the InChIKey of 1-(4-fluorophenyl)-3-(1,4-oxazepan-4-yl)propan-2-one?
The InChIKey is LTFDXBWITYNXDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c15-13-4-2-12(3-5-13)10-14(17)11-16-6-1-8-18-9-7-16/h2-5H,1,6-11H2.
What are the key properties of 1-(4-fluorophenyl)-3-(1,4-oxazepan-4-yl)propan-2-one?
1-(4-fluorophenyl)-3-(1,4-oxazepan-4-yl)propan-2-one has a molecular weight of 251.30 g/mol, XLogP of 1.66, 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-(1,4-oxazepan-4-yl)propan-2-one is sourced from PubChem (CID 62973974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).