2-(2-ethylazepan-1-yl)-1-(4-fluorophenyl)propan-1-one

C17H24FNO — CID 104690703

IUPAC2-(2-ethylazepan-1-yl)-1-(4-fluorophenyl)propan-1-one
SMILESCCC1CCCCCN1C(C)C(=O)c1ccc(F)cc1
InChIInChI=1S/C17H24FNO/c1-3-16-7-5-4-6-12-19(16)13(2)17(20)14-8-10-15(18)11-9-14/h8-11,13,16H,3-7,12H2,1-2H3
InChIKeyFJYSFGLDKMHROW-UHFFFAOYSA-N
MW277.38 g/mol
LogP4.05
Rot. Bonds4

About 2-(2-ethylazepan-1-yl)-1-(4-fluorophenyl)propan-1-one

2-(2-ethylazepan-1-yl)-1-(4-fluorophenyl)propan-1-one (PubChem CID 104690703) has the molecular formula C17H24FNO and a molecular weight of 277.38 g/mol. Its IUPAC name is 2-(2-ethylazepan-1-yl)-1-(4-fluorophenyl)propan-1-one.

Molecular Properties

Compound Name2-(2-ethylazepan-1-yl)-1-(4-fluorophenyl)propan-1-one
PubChem CID104690703
Molecular FormulaC17H24FNO
Molecular Weight277.38 g/mol
Exact Mass277.18
IUPAC Name2-(2-ethylazepan-1-yl)-1-(4-fluorophenyl)propan-1-one
SMILESCCC1CCCCCN1C(C)C(=O)c1ccc(F)cc1
InChIInChI=1S/C17H24FNO/c1-3-16-7-5-4-6-12-19(16)13(2)17(20)14-8-10-15(18)11-9-14/h8-11,13,16H,3-7,12H2,1-2H3
InChIKeyFJYSFGLDKMHROW-UHFFFAOYSA-N
XLogP4.05
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.38
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-ethylpiperidin-1-yl)-1-(4-fluorophenyl)propan-1-one
CID 43227547
1-(4-fluorophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 62037342
1-(4-fluorophenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]propan-1-one
CID 62053303
1-(4-fluorophenyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-1-one
CID 62469380
2-[2-(hydroxymethyl)azepan-1-yl]-1-phenylpropan-1-one
CID 116635361
1-(4-bromophenyl)-2-(2-propylpiperidin-1-yl)propan-1-one
CID 83055660
1-phenyl-2-(2-propylpiperidin-1-yl)propan-1-one
CID 83055659
1-(2,4-dichlorophenyl)-2-(2-ethylazepan-1-yl)propan-1-one
CID 104690675
2-(2-ethylpiperidin-1-yl)propanoic acid
CID 20985444
2-(2-ethylpiperidin-1-yl)propanoyl chloride
CID 82040582
2-(2-ethylazepan-1-yl)-1-piperazin-1-ylpropan-1-one
CID 104689975
1-(2-ethylpiperidin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 134062684

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylazepan-1-yl)-1-(4-fluorophenyl)propan-1-one?
The IUPAC name of 2-(2-ethylazepan-1-yl)-1-(4-fluorophenyl)propan-1-one (CID 104690703) is 2-(2-ethylazepan-1-yl)-1-(4-fluorophenyl)propan-1-one.
What is the SMILES notation for 2-(2-ethylazepan-1-yl)-1-(4-fluorophenyl)propan-1-one?
The canonical SMILES for 2-(2-ethylazepan-1-yl)-1-(4-fluorophenyl)propan-1-one is CCC1CCCCCN1C(C)C(=O)c1ccc(F)cc1.
What is the InChIKey of 2-(2-ethylazepan-1-yl)-1-(4-fluorophenyl)propan-1-one?
The InChIKey is FJYSFGLDKMHROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO/c1-3-16-7-5-4-6-12-19(16)13(2)17(20)14-8-10-15(18)11-9-14/h8-11,13,16H,3-7,12H2,1-2H3.
What are the key properties of 2-(2-ethylazepan-1-yl)-1-(4-fluorophenyl)propan-1-one?
2-(2-ethylazepan-1-yl)-1-(4-fluorophenyl)propan-1-one has a molecular weight of 277.38 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylazepan-1-yl)-1-(4-fluorophenyl)propan-1-one is sourced from PubChem (CID 104690703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).