1-(azepan-2-yl)-2-(3-fluorophenyl)ethanone

C14H18FNO — CID 116582471

IUPAC1-(azepan-2-yl)-2-(3-fluorophenyl)ethanone
SMILESO=C(Cc1cccc(F)c1)C1CCCCCN1
InChIInChI=1S/C14H18FNO/c15-12-6-4-5-11(9-12)10-14(17)13-7-2-1-3-8-16-13/h4-6,9,13,16H,1-3,7-8,10H2
InChIKeyHBQWBRSEXRBDTF-UHFFFAOYSA-N
MW235.30 g/mol
LogP2.47
Rot. Bonds3

About 1-(azepan-2-yl)-2-(3-fluorophenyl)ethanone

1-(azepan-2-yl)-2-(3-fluorophenyl)ethanone (PubChem CID 116582471) has the molecular formula C14H18FNO and a molecular weight of 235.30 g/mol. Its IUPAC name is 1-(azepan-2-yl)-2-(3-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-(azepan-2-yl)-2-(3-fluorophenyl)ethanone
PubChem CID116582471
Molecular FormulaC14H18FNO
Molecular Weight235.30 g/mol
Exact Mass235.14
IUPAC Name1-(azepan-2-yl)-2-(3-fluorophenyl)ethanone
SMILESO=C(Cc1cccc(F)c1)C1CCCCCN1
InChIInChI=1S/C14H18FNO/c15-12-6-4-5-11(9-12)10-14(17)13-7-2-1-3-8-16-13/h4-6,9,13,16H,1-3,7-8,10H2
InChIKeyHBQWBRSEXRBDTF-UHFFFAOYSA-N
XLogP2.47
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 ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromophenyl)-1-piperidin-2-ylethanone
CID 116547857
1-(azepan-2-yl)-2-(3-methoxyphenyl)ethanone
CID 116582555
1-(azepan-2-yl)-2-(3-bromo-5-fluorophenyl)ethanone
CID 116582543
1-(azepan-2-yl)-2-(2,6-difluorophenyl)ethanone
CID 114935433
2-(3-bromo-5-fluorophenyl)-1-piperidin-2-ylethanone
CID 116547767
2-(2,5-difluorophenyl)-1-piperidin-2-ylethanone
CID 116547766
1-cyclobutyl-2-(3-fluorophenyl)ethanone
CID 61078433
[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-piperidin-2-ylmethanone
CID 119296735
1-(2-aminocycloheptyl)-2-(3-fluorophenyl)ethanone
CID 116595083
2-(4-ethylphenyl)-1-piperidin-2-ylethanone
CID 116547776
1-(9-azabicyclo[3.3.1]nonan-3-yl)-2-(3-fluorophenyl)ethanone
CID 171944857
2-[(3-fluorophenyl)methyl]azepane
CID 62544707

Frequently Asked Questions

What is the IUPAC name of 1-(azepan-2-yl)-2-(3-fluorophenyl)ethanone?
The IUPAC name of 1-(azepan-2-yl)-2-(3-fluorophenyl)ethanone (CID 116582471) is 1-(azepan-2-yl)-2-(3-fluorophenyl)ethanone.
What is the SMILES notation for 1-(azepan-2-yl)-2-(3-fluorophenyl)ethanone?
The canonical SMILES for 1-(azepan-2-yl)-2-(3-fluorophenyl)ethanone is O=C(Cc1cccc(F)c1)C1CCCCCN1.
What is the InChIKey of 1-(azepan-2-yl)-2-(3-fluorophenyl)ethanone?
The InChIKey is HBQWBRSEXRBDTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO/c15-12-6-4-5-11(9-12)10-14(17)13-7-2-1-3-8-16-13/h4-6,9,13,16H,1-3,7-8,10H2.
What are the key properties of 1-(azepan-2-yl)-2-(3-fluorophenyl)ethanone?
1-(azepan-2-yl)-2-(3-fluorophenyl)ethanone has a molecular weight of 235.30 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepan-2-yl)-2-(3-fluorophenyl)ethanone is sourced from PubChem (CID 116582471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).