2-(azepan-2-yl)-1-(2-fluorophenyl)ethanone

C14H18FNO — CID 79538703

IUPAC2-(azepan-2-yl)-1-(2-fluorophenyl)ethanone
SMILESO=C(CC1CCCCCN1)c1ccccc1F
InChIInChI=1S/C14H18FNO/c15-13-8-4-3-7-12(13)14(17)10-11-6-2-1-5-9-16-11/h3-4,7-8,11,16H,1-2,5-6,9-10H2
InChIKeyPNYZKIFKMFSAIT-UHFFFAOYSA-N
MW235.30 g/mol
LogP2.93
Rot. Bonds3

About 2-(azepan-2-yl)-1-(2-fluorophenyl)ethanone

2-(azepan-2-yl)-1-(2-fluorophenyl)ethanone (PubChem CID 79538703) has the molecular formula C14H18FNO and a molecular weight of 235.30 g/mol. Its IUPAC name is 2-(azepan-2-yl)-1-(2-fluorophenyl)ethanone.

Molecular Properties

Compound Name2-(azepan-2-yl)-1-(2-fluorophenyl)ethanone
PubChem CID79538703
Molecular FormulaC14H18FNO
Molecular Weight235.30 g/mol
Exact Mass235.14
IUPAC Name2-(azepan-2-yl)-1-(2-fluorophenyl)ethanone
SMILESO=C(CC1CCCCCN1)c1ccccc1F
InChIInChI=1S/C14H18FNO/c15-13-8-4-3-7-12(13)14(17)10-11-6-2-1-5-9-16-11/h3-4,7-8,11,16H,1-2,5-6,9-10H2
InChIKeyPNYZKIFKMFSAIT-UHFFFAOYSA-N
XLogP2.93
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(azetidin-2-yl)-1-(2-fluorophenyl)ethanone
CID 84664669
1-(2-hydroxyphenyl)-2-piperidin-2-ylethanone
CID 84684796
2-(azepan-2-yl)-1-[2-(trifluoromethyl)phenyl]ethanone
CID 79539404
2-(azepan-2-yl)-1-(2-methoxyphenyl)ethanone
CID 79536019
1-(5-chloro-2-fluorophenyl)-2-pyrrolidin-2-ylethanone
CID 116917007
2-(azepan-2-yl)-1-(2,4-dichlorophenyl)ethanone
CID 79538236
1-(2-cyclobutylphenyl)-2-pyrrolidin-2-ylethanone
CID 114607499
1-(2-amino-5-fluorophenyl)-2-piperidin-2-ylethanone
CID 105497824
2-piperidin-2-yl-1-pyridin-2-ylethanone
CID 79539171
1-phenyl-2-pyrrolidin-2-ylethanone
CID 14176779
2-(azepan-2-yl)-1-(5-fluoro-2-pyridinyl)ethanone
CID 83120123
2-(azocan-2-yl)-1-(2,5-dimethylphenyl)ethanone
CID 114239619

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-2-yl)-1-(2-fluorophenyl)ethanone?
The IUPAC name of 2-(azepan-2-yl)-1-(2-fluorophenyl)ethanone (CID 79538703) is 2-(azepan-2-yl)-1-(2-fluorophenyl)ethanone.
What is the SMILES notation for 2-(azepan-2-yl)-1-(2-fluorophenyl)ethanone?
The canonical SMILES for 2-(azepan-2-yl)-1-(2-fluorophenyl)ethanone is O=C(CC1CCCCCN1)c1ccccc1F.
What is the InChIKey of 2-(azepan-2-yl)-1-(2-fluorophenyl)ethanone?
The InChIKey is PNYZKIFKMFSAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO/c15-13-8-4-3-7-12(13)14(17)10-11-6-2-1-5-9-16-11/h3-4,7-8,11,16H,1-2,5-6,9-10H2.
What are the key properties of 2-(azepan-2-yl)-1-(2-fluorophenyl)ethanone?
2-(azepan-2-yl)-1-(2-fluorophenyl)ethanone has a molecular weight of 235.30 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-2-yl)-1-(2-fluorophenyl)ethanone is sourced from PubChem (CID 79538703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).