1-(3,5-difluoro-2-methoxyphenyl)-2-ethylhexan-1-one

C15H20F2O2 — CID 146006121

IUPAC1-(3,5-difluoro-2-methoxyphenyl)-2-ethylhexan-1-one
SMILESCCCCC(CC)C(=O)c1cc(F)cc(F)c1OC
InChIInChI=1S/C15H20F2O2/c1-4-6-7-10(5-2)14(18)12-8-11(16)9-13(17)15(12)19-3/h8-10H,4-7H2,1-3H3
InChIKeyGAWLHFNJBPEGTH-UHFFFAOYSA-N
MW270.32 g/mol
LogP4.37
Rot. Bonds7

About 1-(3,5-difluoro-2-methoxyphenyl)-2-ethylhexan-1-one

1-(3,5-difluoro-2-methoxyphenyl)-2-ethylhexan-1-one (PubChem CID 146006121) has the molecular formula C15H20F2O2 and a molecular weight of 270.32 g/mol. Its IUPAC name is 1-(3,5-difluoro-2-methoxyphenyl)-2-ethylhexan-1-one.

Molecular Properties

Compound Name1-(3,5-difluoro-2-methoxyphenyl)-2-ethylhexan-1-one
PubChem CID146006121
Molecular FormulaC15H20F2O2
Molecular Weight270.32 g/mol
Exact Mass270.14
IUPAC Name1-(3,5-difluoro-2-methoxyphenyl)-2-ethylhexan-1-one
SMILESCCCCC(CC)C(=O)c1cc(F)cc(F)c1OC
InChIInChI=1S/C15H20F2O2/c1-4-6-7-10(5-2)14(18)12-8-11(16)9-13(17)15(12)19-3/h8-10H,4-7H2,1-3H3
InChIKeyGAWLHFNJBPEGTH-UHFFFAOYSA-N
XLogP4.37
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(3,5-difluoro-2-methoxyphenyl)-2-ethylhexan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethyl-1-(3-fluoro-2-methoxyphenyl)hexan-1-one
CID 146008444
2-ethyl-1-(5-iodo-2-methoxyphenyl)hexan-1-one
CID 43339711
2-ethyl-1-(5-methoxy-1H-indol-3-yl)hexan-1-one
CID 43162108
1-(2-chlorophenyl)-2-ethylhexan-1-one
CID 114963301
3,5-difluoro-2-pentoxybenzoyl chloride
CID 91655224
1-(2,5-dibromo-4-methylphenyl)-2-ethylhexan-1-one
CID 81468373
1-(2-ethoxy-5-methylphenyl)-2-ethylhexan-1-one
CID 55196017
methyl 2-(2-bromo-5-fluorobenzoyl)hexanoate
CID 107923909
N-[4-(2-ethylhexanoyl)-2,6-difluorophenyl]-2,2-dimethylpropanamide
CID 58779683
1-(5-bromo-4-fluoro-2-methoxyphenyl)-2-methylhexan-1-one
CID 114246172
3-ethyl-1-(5-fluoro-2-methylphenyl)heptan-2-one
CID 105376810
1-(3,5-difluoro-2-methoxyphenyl)propan-2-one
CID 83880632

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluoro-2-methoxyphenyl)-2-ethylhexan-1-one?
The IUPAC name of 1-(3,5-difluoro-2-methoxyphenyl)-2-ethylhexan-1-one (CID 146006121) is 1-(3,5-difluoro-2-methoxyphenyl)-2-ethylhexan-1-one.
What is the SMILES notation for 1-(3,5-difluoro-2-methoxyphenyl)-2-ethylhexan-1-one?
The canonical SMILES for 1-(3,5-difluoro-2-methoxyphenyl)-2-ethylhexan-1-one is CCCCC(CC)C(=O)c1cc(F)cc(F)c1OC.
What is the InChIKey of 1-(3,5-difluoro-2-methoxyphenyl)-2-ethylhexan-1-one?
The InChIKey is GAWLHFNJBPEGTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2O2/c1-4-6-7-10(5-2)14(18)12-8-11(16)9-13(17)15(12)19-3/h8-10H,4-7H2,1-3H3.
What are the key properties of 1-(3,5-difluoro-2-methoxyphenyl)-2-ethylhexan-1-one?
1-(3,5-difluoro-2-methoxyphenyl)-2-ethylhexan-1-one has a molecular weight of 270.32 g/mol, XLogP of 4.37, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluoro-2-methoxyphenyl)-2-ethylhexan-1-one is sourced from PubChem (CID 146006121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).