3-(2,2-difluoroethoxy)-1-[4-(2-methylpropyl)phenyl]propan-1-one

C15H20F2O2 — CID 103206458

IUPAC3-(2,2-difluoroethoxy)-1-[4-(2-methylpropyl)phenyl]propan-1-one
SMILESCC(C)Cc1ccc(C(=O)CCOCC(F)F)cc1
InChIInChI=1S/C15H20F2O2/c1-11(2)9-12-3-5-13(6-4-12)14(18)7-8-19-10-15(16)17/h3-6,11,15H,7-10H2,1-2H3
InChIKeyUFXLEUSTFYQMMY-UHFFFAOYSA-N
MW270.32 g/mol
LogP3.74
Rot. Bonds8

About 3-(2,2-difluoroethoxy)-1-[4-(2-methylpropyl)phenyl]propan-1-one

3-(2,2-difluoroethoxy)-1-[4-(2-methylpropyl)phenyl]propan-1-one (PubChem CID 103206458) has the molecular formula C15H20F2O2 and a molecular weight of 270.32 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-1-[4-(2-methylpropyl)phenyl]propan-1-one.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-1-[4-(2-methylpropyl)phenyl]propan-1-one
PubChem CID103206458
Molecular FormulaC15H20F2O2
Molecular Weight270.32 g/mol
Exact Mass270.14
IUPAC Name3-(2,2-difluoroethoxy)-1-[4-(2-methylpropyl)phenyl]propan-1-one
SMILESCC(C)Cc1ccc(C(=O)CCOCC(F)F)cc1
InChIInChI=1S/C15H20F2O2/c1-11(2)9-12-3-5-13(6-4-12)14(18)7-8-19-10-15(16)17/h3-6,11,15H,7-10H2,1-2H3
InChIKeyUFXLEUSTFYQMMY-UHFFFAOYSA-N
XLogP3.74
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 ≤ 53.74
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

1-(4-fluorophenyl)-3-(2-methylpropoxy)propan-1-one
CID 43793380
1-[4-(2-methylpropyl)phenyl]-3-sulfanylpropan-1-one
CID 94684203
1-(3,4-diethoxyphenyl)-3-(2,2-difluoroethoxy)propan-1-one
CID 103147081
N-[4-[3-(2,2-difluoroethoxy)propanoyl]phenyl]ethanesulfonamide
CID 103206500
3-(2,2-difluoroethoxy)-1-(3-ethylphenyl)propan-1-one
CID 103147217
3-(2,2-difluoroethoxy)-1-(3-propan-2-yloxyphenyl)propan-1-one
CID 103147048
1-(4-fluorophenyl)-2-[4-(2-methylpropyl)phenyl]ethanone
CID 165436365
4,4-difluoro-1-[4-(2-methylpropyl)phenyl]butane-1,3-dione
CID 43118308
1-(4-amino-3-fluorophenyl)-3-(2,2-difluoroethoxy)propan-1-one
CID 103213046
3-(2,2-difluoroethoxy)-1-(3-propylphenyl)propan-1-one
CID 103147225
1-[4-(2-methylpropyl)phenyl]decan-1-one
CID 65449495
3-(2,2-difluoroethoxy)-1-(3-fluoro-5-methylphenyl)propan-1-one
CID 103147239

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)-1-[4-(2-methylpropyl)phenyl]propan-1-one?
The IUPAC name of 3-(2,2-difluoroethoxy)-1-[4-(2-methylpropyl)phenyl]propan-1-one (CID 103206458) is 3-(2,2-difluoroethoxy)-1-[4-(2-methylpropyl)phenyl]propan-1-one.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-1-[4-(2-methylpropyl)phenyl]propan-1-one?
The canonical SMILES for 3-(2,2-difluoroethoxy)-1-[4-(2-methylpropyl)phenyl]propan-1-one is CC(C)Cc1ccc(C(=O)CCOCC(F)F)cc1.
What is the InChIKey of 3-(2,2-difluoroethoxy)-1-[4-(2-methylpropyl)phenyl]propan-1-one?
The InChIKey is UFXLEUSTFYQMMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2O2/c1-11(2)9-12-3-5-13(6-4-12)14(18)7-8-19-10-15(16)17/h3-6,11,15H,7-10H2,1-2H3.
What are the key properties of 3-(2,2-difluoroethoxy)-1-[4-(2-methylpropyl)phenyl]propan-1-one?
3-(2,2-difluoroethoxy)-1-[4-(2-methylpropyl)phenyl]propan-1-one has a molecular weight of 270.32 g/mol, XLogP of 3.74, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)-1-[4-(2-methylpropyl)phenyl]propan-1-one is sourced from PubChem (CID 103206458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).