1-(6-bicyclo[3.1.0]hexanyl)-2-(2-fluoro-3-methoxyphenyl)ethanone

C15H17FO2 — CID 115800338

IUPAC1-(6-bicyclo[3.1.0]hexanyl)-2-(2-fluoro-3-methoxyphenyl)ethanone
SMILESCOc1cccc(CC(=O)C2C3CCCC32)c1F
InChIInChI=1S/C15H17FO2/c1-18-13-7-2-4-9(15(13)16)8-12(17)14-10-5-3-6-11(10)14/h2,4,7,10-11,14H,3,5-6,8H2,1H3
InChIKeyVWPFRJMMDSZHTA-UHFFFAOYSA-N
MW248.30 g/mol
LogP2.99
Rot. Bonds4

About 1-(6-bicyclo[3.1.0]hexanyl)-2-(2-fluoro-3-methoxyphenyl)ethanone

1-(6-bicyclo[3.1.0]hexanyl)-2-(2-fluoro-3-methoxyphenyl)ethanone (PubChem CID 115800338) has the molecular formula C15H17FO2 and a molecular weight of 248.30 g/mol. Its IUPAC name is 1-(6-bicyclo[3.1.0]hexanyl)-2-(2-fluoro-3-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(6-bicyclo[3.1.0]hexanyl)-2-(2-fluoro-3-methoxyphenyl)ethanone
PubChem CID115800338
Molecular FormulaC15H17FO2
Molecular Weight248.30 g/mol
Exact Mass248.12
IUPAC Name1-(6-bicyclo[3.1.0]hexanyl)-2-(2-fluoro-3-methoxyphenyl)ethanone
SMILESCOc1cccc(CC(=O)C2C3CCCC32)c1F
InChIInChI=1S/C15H17FO2/c1-18-13-7-2-4-9(15(13)16)8-12(17)14-10-5-3-6-11(10)14/h2,4,7,10-11,14H,3,5-6,8H2,1H3
InChIKeyVWPFRJMMDSZHTA-UHFFFAOYSA-N
XLogP2.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-aminocyclohexyl)-2-(2-fluoro-3-methoxyphenyl)ethanone
CID 116579985
2-(2-fluoro-3-methoxyphenyl)-1-pyrrolidin-2-ylethanone
CID 116547496
2-(2-fluoro-3-methoxyphenyl)-1-(thian-2-yl)ethanone
CID 113453748
1-cyclopentyl-3-(2-fluoro-3-methoxyphenyl)propan-2-one
CID 115800128
4-cyclopentyl-1-(2-fluoro-3-methoxyphenyl)butan-2-one
CID 115800308
3-cyclopropyl-1-(2-fluoro-3-methoxyphenyl)butan-2-one
CID 115800224
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(2-fluoro-3-methoxyphenyl)ethanone
CID 104793495
1-(2-fluoro-3-methoxyphenyl)-3-methoxypropan-2-one
CID 104793398
1-cyclobutyl-2-(2-methoxyphenyl)ethanone
CID 61079535
1-(6-azaspiro[2.5]octan-2-yl)-2-(2-fluoro-3-methoxyphenyl)ethanone
CID 116573215
1-(2-aminophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanone
CID 113453735
1-(2-fluoro-3-methoxyphenyl)-4-piperidin-2-ylbutan-2-one
CID 116563754

Frequently Asked Questions

What is the IUPAC name of 1-(6-bicyclo[3.1.0]hexanyl)-2-(2-fluoro-3-methoxyphenyl)ethanone?
The IUPAC name of 1-(6-bicyclo[3.1.0]hexanyl)-2-(2-fluoro-3-methoxyphenyl)ethanone (CID 115800338) is 1-(6-bicyclo[3.1.0]hexanyl)-2-(2-fluoro-3-methoxyphenyl)ethanone.
What is the SMILES notation for 1-(6-bicyclo[3.1.0]hexanyl)-2-(2-fluoro-3-methoxyphenyl)ethanone?
The canonical SMILES for 1-(6-bicyclo[3.1.0]hexanyl)-2-(2-fluoro-3-methoxyphenyl)ethanone is COc1cccc(CC(=O)C2C3CCCC32)c1F.
What is the InChIKey of 1-(6-bicyclo[3.1.0]hexanyl)-2-(2-fluoro-3-methoxyphenyl)ethanone?
The InChIKey is VWPFRJMMDSZHTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FO2/c1-18-13-7-2-4-9(15(13)16)8-12(17)14-10-5-3-6-11(10)14/h2,4,7,10-11,14H,3,5-6,8H2,1H3.
What are the key properties of 1-(6-bicyclo[3.1.0]hexanyl)-2-(2-fluoro-3-methoxyphenyl)ethanone?
1-(6-bicyclo[3.1.0]hexanyl)-2-(2-fluoro-3-methoxyphenyl)ethanone has a molecular weight of 248.30 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bicyclo[3.1.0]hexanyl)-2-(2-fluoro-3-methoxyphenyl)ethanone is sourced from PubChem (CID 115800338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).