5-fluoro-1-phenylheptan-3-one

C13H17FO — CID 134845186

IUPAC5-fluoro-1-phenylheptan-3-one
SMILESCCC(F)CC(=O)CCc1ccccc1
InChIInChI=1S/C13H17FO/c1-2-12(14)10-13(15)9-8-11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3
InChIKeySKIYJPHBXJBZDH-UHFFFAOYSA-N
MW208.28 g/mol
LogP3.33
Rot. Bonds6

About 5-fluoro-1-phenylheptan-3-one

5-fluoro-1-phenylheptan-3-one (PubChem CID 134845186) has the molecular formula C13H17FO and a molecular weight of 208.28 g/mol. Its IUPAC name is 5-fluoro-1-phenylheptan-3-one.

Molecular Properties

Compound Name5-fluoro-1-phenylheptan-3-one
PubChem CID134845186
Molecular FormulaC13H17FO
Molecular Weight208.28 g/mol
Exact Mass208.13
IUPAC Name5-fluoro-1-phenylheptan-3-one
SMILESCCC(F)CC(=O)CCc1ccccc1
InChIInChI=1S/C13H17FO/c1-2-12(14)10-13(15)9-8-11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3
InChIKeySKIYJPHBXJBZDH-UHFFFAOYSA-N
XLogP3.33
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-methyl-1-phenyloctan-3-one
CID 62622474
6-amino-5-methyl-1-phenylhexan-3-one
CID 116596581
methanamine;1-phenylpentan-3-one
CID 167492251
4-ethyl-1-phenylhexan-3-one
CID 71072308
CID 158709876
CID 158709876
4-hydroxy-1-phenylhexan-3-one
CID 103453087
1-phenylnonane-3,5-dione
CID 14763643
6-(4-fluorophenyl)-5-hydroxy-1-phenylhexan-3-one
CID 24881683
5-ethyl-1-(4-methylphenyl)heptan-3-one
CID 105125451
1-(4-tert-butylphenyl)-5-phenylpentan-3-one
CID 71658450
1-(4-phenylphenyl)pentan-3-one
CID 58444061
butan-2-yl 3-phenylpropanoate
CID 562005

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-phenylheptan-3-one?
The IUPAC name of 5-fluoro-1-phenylheptan-3-one (CID 134845186) is 5-fluoro-1-phenylheptan-3-one.
What is the SMILES notation for 5-fluoro-1-phenylheptan-3-one?
The canonical SMILES for 5-fluoro-1-phenylheptan-3-one is CCC(F)CC(=O)CCc1ccccc1.
What is the InChIKey of 5-fluoro-1-phenylheptan-3-one?
The InChIKey is SKIYJPHBXJBZDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FO/c1-2-12(14)10-13(15)9-8-11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3.
What are the key properties of 5-fluoro-1-phenylheptan-3-one?
5-fluoro-1-phenylheptan-3-one has a molecular weight of 208.28 g/mol, XLogP of 3.33, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-phenylheptan-3-one is sourced from PubChem (CID 134845186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).