1-(2-fluorophenyl)octan-2-one

C14H19FO — CID 62620630

IUPAC1-(2-fluorophenyl)octan-2-one
SMILESCCCCCCC(=O)Cc1ccccc1F
InChIInChI=1S/C14H19FO/c1-2-3-4-5-9-13(16)11-12-8-6-7-10-14(12)15/h6-8,10H,2-5,9,11H2,1H3
InChIKeyDNEAXLSYJOWBSL-UHFFFAOYSA-N
MW222.30 g/mol
LogP3.91
Rot. Bonds7

About 1-(2-fluorophenyl)octan-2-one

1-(2-fluorophenyl)octan-2-one (PubChem CID 62620630) has the molecular formula C14H19FO and a molecular weight of 222.30 g/mol. Its IUPAC name is 1-(2-fluorophenyl)octan-2-one.

Molecular Properties

Compound Name1-(2-fluorophenyl)octan-2-one
PubChem CID62620630
Molecular FormulaC14H19FO
Molecular Weight222.30 g/mol
Exact Mass222.14
IUPAC Name1-(2-fluorophenyl)octan-2-one
SMILESCCCCCCC(=O)Cc1ccccc1F
InChIInChI=1S/C14H19FO/c1-2-3-4-5-9-13(16)11-12-8-6-7-10-14(12)15/h6-8,10H,2-5,9,11H2,1H3
InChIKeyDNEAXLSYJOWBSL-UHFFFAOYSA-N
XLogP3.91
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.30
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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1-phenylheptadecan-2-one
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1-(2-fluorophenyl)-3-[methyl(pentyl)amino]propan-2-one
CID 43796057
N-[(2-fluorophenyl)methyl]hexanamide
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1-fluoro-2-heptylbenzene
CID 20721019
1-(2-fluorophenyl)octane-1,3-dione
CID 43138821
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CID 174964119
1,1'-biphenyl;heptadecan-9-one
CID 19613965
1-(2,6-difluorophenyl)octan-1-one
CID 79522078
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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)octan-2-one?
The IUPAC name of 1-(2-fluorophenyl)octan-2-one (CID 62620630) is 1-(2-fluorophenyl)octan-2-one.
What is the SMILES notation for 1-(2-fluorophenyl)octan-2-one?
The canonical SMILES for 1-(2-fluorophenyl)octan-2-one is CCCCCCC(=O)Cc1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)octan-2-one?
The InChIKey is DNEAXLSYJOWBSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FO/c1-2-3-4-5-9-13(16)11-12-8-6-7-10-14(12)15/h6-8,10H,2-5,9,11H2,1H3.
What are the key properties of 1-(2-fluorophenyl)octan-2-one?
1-(2-fluorophenyl)octan-2-one has a molecular weight of 222.30 g/mol, XLogP of 3.91, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)octan-2-one is sourced from PubChem (CID 62620630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).