8-(2,6-difluoro-3-methoxyphenyl)octan-3-one

C15H20F2O2 — CID 157048833

IUPAC8-(2,6-difluoro-3-methoxyphenyl)octan-3-one
SMILESCCC(=O)CCCCCc1c(F)ccc(OC)c1F
InChIInChI=1S/C15H20F2O2/c1-3-11(18)7-5-4-6-8-12-13(16)9-10-14(19-2)15(12)17/h9-10H,3-8H2,1-2H3
InChIKeyNIDHYXFETCDQOR-UHFFFAOYSA-N
MW270.32 g/mol
LogP4.06
Rot. Bonds8

About 8-(2,6-difluoro-3-methoxyphenyl)octan-3-one

8-(2,6-difluoro-3-methoxyphenyl)octan-3-one (PubChem CID 157048833) has the molecular formula C15H20F2O2 and a molecular weight of 270.32 g/mol. Its IUPAC name is 8-(2,6-difluoro-3-methoxyphenyl)octan-3-one.

Molecular Properties

Compound Name8-(2,6-difluoro-3-methoxyphenyl)octan-3-one
PubChem CID157048833
Molecular FormulaC15H20F2O2
Molecular Weight270.32 g/mol
Exact Mass270.14
IUPAC Name8-(2,6-difluoro-3-methoxyphenyl)octan-3-one
SMILESCCC(=O)CCCCCc1c(F)ccc(OC)c1F
InChIInChI=1S/C15H20F2O2/c1-3-11(18)7-5-4-6-8-12-13(16)9-10-14(19-2)15(12)17/h9-10H,3-8H2,1-2H3
InChIKeyNIDHYXFETCDQOR-UHFFFAOYSA-N
XLogP4.06
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-(2-fluoro-3-methoxyphenyl)hexan-3-one
CID 104795064
2-(2,6-difluoro-3-methoxyphenyl)ethanamine
CID 10797664
1-(3-fluoro-4-methoxyphenyl)pentan-3-one
CID 43175845
1-(3-fluoro-6-methoxy-2-methylphenyl)propan-1-one
CID 91305011
O-[2-(2,6-difluoro-3-methoxyphenyl)ethyl]hydroxylamine
CID 117291282
1-(2,6-dimethoxyphenyl)pentan-3-one
CID 116811041
1-(4-hydroxy-3-methoxyphenyl)hexadecane-3,14-dione
CID 70011892
(2S)-2-amino-3-(2,6-difluoro-3-methoxyphenyl)propanoic acid
CID 93478159
1-(3-fluoro-2,6-dimethoxyphenyl)propan-1-one
CID 14850156
1-(3-fluoro-4-methoxyphenyl)undecan-1-one
CID 22446418
1-(4-fluoro-3-methoxyphenyl)decan-1-one
CID 114966463
1,4-dimethoxybenzene;octan-3-one
CID 174621330

Frequently Asked Questions

What is the IUPAC name of 8-(2,6-difluoro-3-methoxyphenyl)octan-3-one?
The IUPAC name of 8-(2,6-difluoro-3-methoxyphenyl)octan-3-one (CID 157048833) is 8-(2,6-difluoro-3-methoxyphenyl)octan-3-one.
What is the SMILES notation for 8-(2,6-difluoro-3-methoxyphenyl)octan-3-one?
The canonical SMILES for 8-(2,6-difluoro-3-methoxyphenyl)octan-3-one is CCC(=O)CCCCCc1c(F)ccc(OC)c1F.
What is the InChIKey of 8-(2,6-difluoro-3-methoxyphenyl)octan-3-one?
The InChIKey is NIDHYXFETCDQOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2O2/c1-3-11(18)7-5-4-6-8-12-13(16)9-10-14(19-2)15(12)17/h9-10H,3-8H2,1-2H3.
What are the key properties of 8-(2,6-difluoro-3-methoxyphenyl)octan-3-one?
8-(2,6-difluoro-3-methoxyphenyl)octan-3-one has a molecular weight of 270.32 g/mol, XLogP of 4.06, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,6-difluoro-3-methoxyphenyl)octan-3-one is sourced from PubChem (CID 157048833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).