2-[(2,3-difluorophenoxy)methyl]cyclohexan-1-one

C13H14F2O2 — CID 69493315

IUPAC2-[(2,3-difluorophenoxy)methyl]cyclohexan-1-one
SMILESO=C1CCCCC1COc1cccc(F)c1F
InChIInChI=1S/C13H14F2O2/c14-10-5-3-7-12(13(10)15)17-8-9-4-1-2-6-11(9)16/h3,5,7,9H,1-2,4,6,8H2
InChIKeyJHBRTMXHTHNPJI-UHFFFAOYSA-N
MW240.25 g/mol
LogP3.10
Rot. Bonds3

About 2-[(2,3-difluorophenoxy)methyl]cyclohexan-1-one

2-[(2,3-difluorophenoxy)methyl]cyclohexan-1-one (PubChem CID 69493315) has the molecular formula C13H14F2O2 and a molecular weight of 240.25 g/mol. Its IUPAC name is 2-[(2,3-difluorophenoxy)methyl]cyclohexan-1-one.

Molecular Properties

Compound Name2-[(2,3-difluorophenoxy)methyl]cyclohexan-1-one
PubChem CID69493315
Molecular FormulaC13H14F2O2
Molecular Weight240.25 g/mol
Exact Mass240.10
IUPAC Name2-[(2,3-difluorophenoxy)methyl]cyclohexan-1-one
SMILESO=C1CCCCC1COc1cccc(F)c1F
InChIInChI=1S/C13H14F2O2/c14-10-5-3-7-12(13(10)15)17-8-9-4-1-2-6-11(9)16/h3,5,7,9H,1-2,4,6,8H2
InChIKeyJHBRTMXHTHNPJI-UHFFFAOYSA-N
XLogP3.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 44341053
1,1,1-Trifluoro-7-(4-biphenylyloxy)-2-heptanone
CID 44342825
1,1,1-Trifluoro-8-(4-phenoxyphenoxy)-2-octanone
CID 44342905
1,1,1-Trifluoro-8-(3-biphenylyloxy)-2-octanone
CID 44343094
1,1,1-Trifluoro-8-phenoxyoctan-2-one
CID 44342886
1,1,1-Trifluoro-6-(4-hexoxyphenyl)hexan-2-one
CID 25059556
1,1,1-Trifluoro-4-(4-hexoxyphenyl)butan-2-one
CID 25059817
4-(4-Decoxyphenyl)-1,1,1-trifluorobutan-2-one
CID 25059818
1,1,1-Trifluoro-9-(4-biphenylyloxy)-2-nonanone
CID 44342872
5-Fluoro-2-(4-fluorophenyl)chromen-4-one
CID 46873366
2,2,2-Trifluoro-1-[2-[4-(4-phenylphenoxy)butyl]cyclopropyl]ethanone
CID 44343096
2-[(4-Fluorobenzyl)oxy]benzaldehyde
CID 876934

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-difluorophenoxy)methyl]cyclohexan-1-one?
The IUPAC name of 2-[(2,3-difluorophenoxy)methyl]cyclohexan-1-one (CID 69493315) is 2-[(2,3-difluorophenoxy)methyl]cyclohexan-1-one.
What is the SMILES notation for 2-[(2,3-difluorophenoxy)methyl]cyclohexan-1-one?
The canonical SMILES for 2-[(2,3-difluorophenoxy)methyl]cyclohexan-1-one is O=C1CCCCC1COc1cccc(F)c1F.
What is the InChIKey of 2-[(2,3-difluorophenoxy)methyl]cyclohexan-1-one?
The InChIKey is JHBRTMXHTHNPJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2O2/c14-10-5-3-7-12(13(10)15)17-8-9-4-1-2-6-11(9)16/h3,5,7,9H,1-2,4,6,8H2.
What are the key properties of 2-[(2,3-difluorophenoxy)methyl]cyclohexan-1-one?
2-[(2,3-difluorophenoxy)methyl]cyclohexan-1-one has a molecular weight of 240.25 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-difluorophenoxy)methyl]cyclohexan-1-one is sourced from PubChem (CID 69493315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).