1-(2-fluoro-5-methylphenyl)decan-1-one

C17H25FO — CID 114966456

IUPAC1-(2-fluoro-5-methylphenyl)decan-1-one
SMILESCCCCCCCCCC(=O)c1cc(C)ccc1F
InChIInChI=1S/C17H25FO/c1-3-4-5-6-7-8-9-10-17(19)15-13-14(2)11-12-16(15)18/h11-13H,3-10H2,1-2H3
InChIKeyXOSYOWOPXSUJEQ-UHFFFAOYSA-N
MW264.38 g/mol
LogP5.46
Rot. Bonds9

About 1-(2-fluoro-5-methylphenyl)decan-1-one

1-(2-fluoro-5-methylphenyl)decan-1-one (PubChem CID 114966456) has the molecular formula C17H25FO and a molecular weight of 264.38 g/mol. Its IUPAC name is 1-(2-fluoro-5-methylphenyl)decan-1-one.

Molecular Properties

Compound Name1-(2-fluoro-5-methylphenyl)decan-1-one
PubChem CID114966456
Molecular FormulaC17H25FO
Molecular Weight264.38 g/mol
Exact Mass264.19
IUPAC Name1-(2-fluoro-5-methylphenyl)decan-1-one
SMILESCCCCCCCCCC(=O)c1cc(C)ccc1F
InChIInChI=1S/C17H25FO/c1-3-4-5-6-7-8-9-10-17(19)15-13-14(2)11-12-16(15)18/h11-13H,3-10H2,1-2H3
InChIKeyXOSYOWOPXSUJEQ-UHFFFAOYSA-N
XLogP5.46
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.38
LogP ≤ 55.46
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

1-(2-fluoro-4-methylphenyl)octan-1-one
CID 114966540
1-(5-chloro-2-fluorophenyl)octan-1-one
CID 114885192
1-(2,5-difluorophenyl)dodecan-1-one
CID 65448171
1-(2-hydroxy-5-methylphenyl)dodecan-1-one
CID 158719542
1-(2-amino-5-methylphenyl)nonan-1-one
CID 116581263
1-(2,4,5-trifluorophenyl)decan-1-one
CID 103301401
1-(2-methoxy-5-methylphenyl)undecan-1-one
CID 114968931
1-(5-chloro-2-fluorophenyl)pentan-1-one
CID 83988319
1-(2-bromo-4-methylphenyl)heptan-1-one
CID 114966698
1-(2-ethoxy-5-methylphenyl)nonan-1-one
CID 65447426
1-(2-fluoro-4-methylphenyl)butan-1-one
CID 83957348
1-(2,4-difluorophenyl)dodecan-1-one
CID 65448734

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-5-methylphenyl)decan-1-one?
The IUPAC name of 1-(2-fluoro-5-methylphenyl)decan-1-one (CID 114966456) is 1-(2-fluoro-5-methylphenyl)decan-1-one.
What is the SMILES notation for 1-(2-fluoro-5-methylphenyl)decan-1-one?
The canonical SMILES for 1-(2-fluoro-5-methylphenyl)decan-1-one is CCCCCCCCCC(=O)c1cc(C)ccc1F.
What is the InChIKey of 1-(2-fluoro-5-methylphenyl)decan-1-one?
The InChIKey is XOSYOWOPXSUJEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FO/c1-3-4-5-6-7-8-9-10-17(19)15-13-14(2)11-12-16(15)18/h11-13H,3-10H2,1-2H3.
What are the key properties of 1-(2-fluoro-5-methylphenyl)decan-1-one?
1-(2-fluoro-5-methylphenyl)decan-1-one has a molecular weight of 264.38 g/mol, XLogP of 5.46, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-5-methylphenyl)decan-1-one is sourced from PubChem (CID 114966456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).