6-[(2,6-difluorophenyl)methoxy]hexan-2-one

C13H16F2O2 — CID 135222385

IUPAC6-[(2,6-difluorophenyl)methoxy]hexan-2-one
SMILESCC(=O)CCCCOCc1c(F)cccc1F
InChIInChI=1S/C13H16F2O2/c1-10(16)5-2-3-8-17-9-11-12(14)6-4-7-13(11)15/h4,6-7H,2-3,5,8-9H2,1H3
InChIKeyDAHQXEWOCWLWNH-UHFFFAOYSA-N
MW242.26 g/mol
LogP3.24
Rot. Bonds7

About 6-[(2,6-difluorophenyl)methoxy]hexan-2-one

6-[(2,6-difluorophenyl)methoxy]hexan-2-one (PubChem CID 135222385) has the molecular formula C13H16F2O2 and a molecular weight of 242.26 g/mol. Its IUPAC name is 6-[(2,6-difluorophenyl)methoxy]hexan-2-one.

Molecular Properties

Compound Name6-[(2,6-difluorophenyl)methoxy]hexan-2-one
PubChem CID135222385
Molecular FormulaC13H16F2O2
Molecular Weight242.26 g/mol
Exact Mass242.11
IUPAC Name6-[(2,6-difluorophenyl)methoxy]hexan-2-one
SMILESCC(=O)CCCCOCc1c(F)cccc1F
InChIInChI=1S/C13H16F2O2/c1-10(16)5-2-3-8-17-9-11-12(14)6-4-7-13(11)15/h4,6-7H,2-3,5,8-9H2,1H3
InChIKeyDAHQXEWOCWLWNH-UHFFFAOYSA-N
XLogP3.24
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.26
LogP ≤ 53.24
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-[(2,4,6-trifluorophenyl)methoxy]hexan-2-one
CID 135222204
6-[(4-chlorophenyl)methoxy]hexan-2-one
CID 65126289
6-(2-chloro-6-fluorophenoxy)hexan-2-one
CID 83051301
6-(thiophen-2-ylmethoxy)hexan-2-one
CID 62033101
6-[(4-phenylphenyl)methoxy]hexan-2-one
CID 67703506
6-[[3-[(E)-prop-1-enyl]phenyl]methoxy]hexan-2-one
CID 135222260
4-[4-[(2,6-difluorophenyl)methoxy]phenyl]butan-2-one
CID 103990814
6-(4-fluorophenoxy)hexan-2-one
CID 43793627
6-[10-(5-oxohexoxy)anthracen-9-yl]oxyhexan-2-one
CID 172550093
5-(thiophen-2-ylmethoxy)pentan-2-one
CID 62033282
7-(6-aminohexoxy)heptan-2-one
CID 146201806
2-(butoxymethyl)-1-fluoro-3-(trifluoromethyl)benzene
CID 91727031

Frequently Asked Questions

What is the IUPAC name of 6-[(2,6-difluorophenyl)methoxy]hexan-2-one?
The IUPAC name of 6-[(2,6-difluorophenyl)methoxy]hexan-2-one (CID 135222385) is 6-[(2,6-difluorophenyl)methoxy]hexan-2-one.
What is the SMILES notation for 6-[(2,6-difluorophenyl)methoxy]hexan-2-one?
The canonical SMILES for 6-[(2,6-difluorophenyl)methoxy]hexan-2-one is CC(=O)CCCCOCc1c(F)cccc1F.
What is the InChIKey of 6-[(2,6-difluorophenyl)methoxy]hexan-2-one?
The InChIKey is DAHQXEWOCWLWNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2O2/c1-10(16)5-2-3-8-17-9-11-12(14)6-4-7-13(11)15/h4,6-7H,2-3,5,8-9H2,1H3.
What are the key properties of 6-[(2,6-difluorophenyl)methoxy]hexan-2-one?
6-[(2,6-difluorophenyl)methoxy]hexan-2-one has a molecular weight of 242.26 g/mol, XLogP of 3.24, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,6-difluorophenyl)methoxy]hexan-2-one is sourced from PubChem (CID 135222385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).