2-(4-fluorophenyl)cycloheptan-1-one

C13H15FO — CID 62602864

IUPAC2-(4-fluorophenyl)cycloheptan-1-one
SMILESO=C1CCCCCC1c1ccc(F)cc1
InChIInChI=1S/C13H15FO/c14-11-8-6-10(7-9-11)12-4-2-1-3-5-13(12)15/h6-9,12H,1-5H2
InChIKeyCEJBBEFGVINCNJ-UHFFFAOYSA-N
MW206.26 g/mol
LogP3.44
Rot. Bonds1

About 2-(4-fluorophenyl)cycloheptan-1-one

2-(4-fluorophenyl)cycloheptan-1-one (PubChem CID 62602864) has the molecular formula C13H15FO and a molecular weight of 206.26 g/mol. Its IUPAC name is 2-(4-fluorophenyl)cycloheptan-1-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)cycloheptan-1-one
PubChem CID62602864
Molecular FormulaC13H15FO
Molecular Weight206.26 g/mol
Exact Mass206.11
IUPAC Name2-(4-fluorophenyl)cycloheptan-1-one
SMILESO=C1CCCCCC1c1ccc(F)cc1
InChIInChI=1S/C13H15FO/c14-11-8-6-10(7-9-11)12-4-2-1-3-5-13(12)15/h6-9,12H,1-5H2
InChIKeyCEJBBEFGVINCNJ-UHFFFAOYSA-N
XLogP3.44
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.26
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Benzyl acetone
CID 17355
Phenylacetone
CID 7678
1,3-Diphenyl-2-propanone
CID 7593
4-Methyl-1-phenyl-2-pentanone
CID 219672
Isobutyrophenone
CID 69144
4'-Fluoroacetophenone
CID 9828
2-Phenyl-4-pentenal
CID 562563
4-(p-Tolyl)-2-butanone
CID 5463908
(+)-Turmerone
CID 160512
2-Cyclohexen-1-one, 3-phenyl-
CID 82567
2-Methyl-6-(4-methylphenyl)hept-2-en-4-one
CID 558221
3-Benzyl-4-heptanone
CID 5463905

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)cycloheptan-1-one?
The IUPAC name of 2-(4-fluorophenyl)cycloheptan-1-one (CID 62602864) is 2-(4-fluorophenyl)cycloheptan-1-one.
What is the SMILES notation for 2-(4-fluorophenyl)cycloheptan-1-one?
The canonical SMILES for 2-(4-fluorophenyl)cycloheptan-1-one is O=C1CCCCCC1c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)cycloheptan-1-one?
The InChIKey is CEJBBEFGVINCNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FO/c14-11-8-6-10(7-9-11)12-4-2-1-3-5-13(12)15/h6-9,12H,1-5H2.
What are the key properties of 2-(4-fluorophenyl)cycloheptan-1-one?
2-(4-fluorophenyl)cycloheptan-1-one has a molecular weight of 206.26 g/mol, XLogP of 3.44, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)cycloheptan-1-one is sourced from PubChem (CID 62602864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).