1-[2-fluoro-6-(4-propylazepan-1-yl)phenyl]ethanone

C17H24FNO — CID 62076817

IUPAC1-[2-fluoro-6-(4-propylazepan-1-yl)phenyl]ethanone
SMILESCCCC1CCCN(c2cccc(F)c2C(C)=O)CC1
InChIInChI=1S/C17H24FNO/c1-3-6-14-7-5-11-19(12-10-14)16-9-4-8-15(18)17(16)13(2)20/h4,8-9,14H,3,5-7,10-12H2,1-2H3
InChIKeyPNXOIGQIGVVISY-UHFFFAOYSA-N
MW277.38 g/mol
LogP4.43
Rot. Bonds4

About 1-[2-fluoro-6-(4-propylazepan-1-yl)phenyl]ethanone

1-[2-fluoro-6-(4-propylazepan-1-yl)phenyl]ethanone (PubChem CID 62076817) has the molecular formula C17H24FNO and a molecular weight of 277.38 g/mol. Its IUPAC name is 1-[2-fluoro-6-(4-propylazepan-1-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-fluoro-6-(4-propylazepan-1-yl)phenyl]ethanone
PubChem CID62076817
Molecular FormulaC17H24FNO
Molecular Weight277.38 g/mol
Exact Mass277.18
IUPAC Name1-[2-fluoro-6-(4-propylazepan-1-yl)phenyl]ethanone
SMILESCCCC1CCCN(c2cccc(F)c2C(C)=O)CC1
InChIInChI=1S/C17H24FNO/c1-3-6-14-7-5-11-19(12-10-14)16-9-4-8-15(18)17(16)13(2)20/h4,8-9,14H,3,5-7,10-12H2,1-2H3
InChIKeyPNXOIGQIGVVISY-UHFFFAOYSA-N
XLogP4.43
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 ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-6-(4-propylazepan-1-yl)benzenecarbothioamide
CID 79519405
1-[2-fluoro-6-[3-(hydroxymethyl)pyrrolidin-1-yl]phenyl]ethanone
CID 112692568
1-[2-[4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]-6-fluorophenyl]ethanone
CID 133338554
1-[[1-(2-acetyl-3-fluorophenyl)piperidin-4-yl]methyl]piperidin-2-one
CID 99799044
1-[4-(2-acetyl-3-fluorophenyl)piperazin-1-yl]propan-1-one
CID 133285215
N-[(3R)-1-(2-acetyl-3-fluorophenyl)piperidin-3-yl]butanamide
CID 96567414
1-[2-(4-cyclohexyloxypiperidin-1-yl)-6-fluorophenyl]ethanone
CID 133278302
1-[2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-6-fluorophenyl]ethanone
CID 63151021
3-fluoro-2-(4-propylazepan-1-yl)aniline
CID 112740498
(3S)-1-(2-acetyl-3-fluorophenyl)-N-ethylpyrrolidine-3-sulfonamide
CID 97158073
1-[2-fluoro-6-(1,4-thiazepan-4-yl)phenyl]ethanone
CID 61419831
(3S)-1-(2-acetyl-3-fluorophenyl)pyrrolidine-3-carboxamide
CID 94434168

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-6-(4-propylazepan-1-yl)phenyl]ethanone?
The IUPAC name of 1-[2-fluoro-6-(4-propylazepan-1-yl)phenyl]ethanone (CID 62076817) is 1-[2-fluoro-6-(4-propylazepan-1-yl)phenyl]ethanone.
What is the SMILES notation for 1-[2-fluoro-6-(4-propylazepan-1-yl)phenyl]ethanone?
The canonical SMILES for 1-[2-fluoro-6-(4-propylazepan-1-yl)phenyl]ethanone is CCCC1CCCN(c2cccc(F)c2C(C)=O)CC1.
What is the InChIKey of 1-[2-fluoro-6-(4-propylazepan-1-yl)phenyl]ethanone?
The InChIKey is PNXOIGQIGVVISY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO/c1-3-6-14-7-5-11-19(12-10-14)16-9-4-8-15(18)17(16)13(2)20/h4,8-9,14H,3,5-7,10-12H2,1-2H3.
What are the key properties of 1-[2-fluoro-6-(4-propylazepan-1-yl)phenyl]ethanone?
1-[2-fluoro-6-(4-propylazepan-1-yl)phenyl]ethanone has a molecular weight of 277.38 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-6-(4-propylazepan-1-yl)phenyl]ethanone is sourced from PubChem (CID 62076817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).