1-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone

C12H13FO — CID 83988269

IUPAC1-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
SMILESCC(=O)c1cc2c(cc1F)CCCC2
InChIInChI=1S/C12H13FO/c1-8(14)11-6-9-4-2-3-5-10(9)7-12(11)13/h6-7H,2-5H2,1H3
InChIKeyWQBISPWHTASVSH-UHFFFAOYSA-N
MW192.23 g/mol
LogP2.91
Rot. Bonds1

About 1-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone

1-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone (PubChem CID 83988269) has the molecular formula C12H13FO and a molecular weight of 192.23 g/mol. Its IUPAC name is 1-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone.

Molecular Properties

Compound Name1-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
PubChem CID83988269
Molecular FormulaC12H13FO
Molecular Weight192.23 g/mol
Exact Mass192.10
IUPAC Name1-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
SMILESCC(=O)c1cc2c(cc1F)CCCC2
InChIInChI=1S/C12H13FO/c1-8(14)11-6-9-4-2-3-5-10(9)7-12(11)13/h6-7H,2-5H2,1H3
InChIKeyWQBISPWHTASVSH-UHFFFAOYSA-N
XLogP2.91
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.23
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)-2-(methylamino)ethanone
CID 117315976
1-(3-ethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 165345844
1-(6-methyl-2,3-dihydro-1H-inden-5-yl)ethanone
CID 58928828
1-[3-fluoro-7-(pyrimidin-2-ylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]ethanone
CID 90305331
1-(3-prop-2-enoxy-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 14147378
1-[5-fluoro-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)phenyl]ethanone
CID 63531904
1-(4-chloro-3-hydroxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)ethanone
CID 84700903
ethane;1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 123573357
1-(2,4-difluoro-5-methoxyphenyl)ethanone
CID 117280345
1-(2-fluoro-4-iodo-5-methylphenyl)ethanone
CID 171022676
1-(4-ethenyl-2,5-difluorophenyl)ethanone
CID 142110375
1-(5-amino-4-chloro-2-fluorophenyl)ethanone
CID 131597067

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone?
The IUPAC name of 1-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone (CID 83988269) is 1-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone.
What is the SMILES notation for 1-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone?
The canonical SMILES for 1-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone is CC(=O)c1cc2c(cc1F)CCCC2.
What is the InChIKey of 1-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone?
The InChIKey is WQBISPWHTASVSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FO/c1-8(14)11-6-9-4-2-3-5-10(9)7-12(11)13/h6-7H,2-5H2,1H3.
What are the key properties of 1-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone?
1-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone has a molecular weight of 192.23 g/mol, XLogP of 2.91, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone is sourced from PubChem (CID 83988269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).