6-(3-fluorophenyl)hexan-3-one

C12H15FO — CID 64521140

IUPAC6-(3-fluorophenyl)hexan-3-one
SMILESCCC(=O)CCCc1cccc(F)c1
InChIInChI=1S/C12H15FO/c1-2-12(14)8-4-6-10-5-3-7-11(13)9-10/h3,5,7,9H,2,4,6,8H2,1H3
InChIKeyXMPTVJSGPLWYBZ-UHFFFAOYSA-N
MW194.25 g/mol
LogP3.13
Rot. Bonds5

About 6-(3-fluorophenyl)hexan-3-one

6-(3-fluorophenyl)hexan-3-one (PubChem CID 64521140) has the molecular formula C12H15FO and a molecular weight of 194.25 g/mol. Its IUPAC name is 6-(3-fluorophenyl)hexan-3-one.

Molecular Properties

Compound Name6-(3-fluorophenyl)hexan-3-one
PubChem CID64521140
Molecular FormulaC12H15FO
Molecular Weight194.25 g/mol
Exact Mass194.11
IUPAC Name6-(3-fluorophenyl)hexan-3-one
SMILESCCC(=O)CCCc1cccc(F)c1
InChIInChI=1S/C12H15FO/c1-2-12(14)8-4-6-10-5-3-7-11(13)9-10/h3,5,7,9H,2,4,6,8H2,1H3
InChIKeyXMPTVJSGPLWYBZ-UHFFFAOYSA-N
XLogP3.13
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-(3-chlorophenyl)hexan-3-one
CID 64520537
4-(3-fluorophenyl)butanoyloxidanium
CID 160822973
6-(3-fluorophenoxy)hexan-3-one
CID 106801939
acetylene;1-butyl-3-fluorobenzene
CID 142913636
5-(3-fluorophenyl)pentan-2-imine
CID 157154462
acetic acid;1-fluoro-3-pentylbenzene;guanidine
CID 174775989
6-(3-fluorophenyl)hexan-3-ol
CID 64515590
7-(3-propoxyphenyl)heptan-3-one
CID 157062342
1-(3-methoxyphenyl)heptan-4-one
CID 64502649
1-(3-fluorophenyl)-3-hydroxypropan-2-one
CID 70264927
(Z)-3-ethyl-1-(3-fluorophenyl)pent-3-en-2-one
CID 103447468
1-(3-fluorophenyl)-4-methylhexan-2-one
CID 62622297

Frequently Asked Questions

What is the IUPAC name of 6-(3-fluorophenyl)hexan-3-one?
The IUPAC name of 6-(3-fluorophenyl)hexan-3-one (CID 64521140) is 6-(3-fluorophenyl)hexan-3-one.
What is the SMILES notation for 6-(3-fluorophenyl)hexan-3-one?
The canonical SMILES for 6-(3-fluorophenyl)hexan-3-one is CCC(=O)CCCc1cccc(F)c1.
What is the InChIKey of 6-(3-fluorophenyl)hexan-3-one?
The InChIKey is XMPTVJSGPLWYBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO/c1-2-12(14)8-4-6-10-5-3-7-11(13)9-10/h3,5,7,9H,2,4,6,8H2,1H3.
What are the key properties of 6-(3-fluorophenyl)hexan-3-one?
6-(3-fluorophenyl)hexan-3-one has a molecular weight of 194.25 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluorophenyl)hexan-3-one is sourced from PubChem (CID 64521140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).