1-(2,2-difluoroethoxy)-6-methoxyhexan-3-one

C9H16F2O3 — CID 103147119

IUPAC1-(2,2-difluoroethoxy)-6-methoxyhexan-3-one
SMILESCOCCCC(=O)CCOCC(F)F
InChIInChI=1S/C9H16F2O3/c1-13-5-2-3-8(12)4-6-14-7-9(10)11/h9H,2-7H2,1H3
InChIKeyGWNPKKMSXLXMIF-UHFFFAOYSA-N
MW210.22 g/mol
LogP1.65
Rot. Bonds9

About 1-(2,2-difluoroethoxy)-6-methoxyhexan-3-one

1-(2,2-difluoroethoxy)-6-methoxyhexan-3-one (PubChem CID 103147119) has the molecular formula C9H16F2O3 and a molecular weight of 210.22 g/mol. Its IUPAC name is 1-(2,2-difluoroethoxy)-6-methoxyhexan-3-one.

Molecular Properties

Compound Name1-(2,2-difluoroethoxy)-6-methoxyhexan-3-one
PubChem CID103147119
Molecular FormulaC9H16F2O3
Molecular Weight210.22 g/mol
Exact Mass210.11
IUPAC Name1-(2,2-difluoroethoxy)-6-methoxyhexan-3-one
SMILESCOCCCC(=O)CCOCC(F)F
InChIInChI=1S/C9H16F2O3/c1-13-5-2-3-8(12)4-6-14-7-9(10)11/h9H,2-7H2,1H3
InChIKeyGWNPKKMSXLXMIF-UHFFFAOYSA-N
XLogP1.65
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.22
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2,2-difluoroethoxy)-6-methoxy-4-methylhexan-3-one
CID 103147041
1-(2,2-difluoroethoxy)hept-5-yn-3-one
CID 103147266
1-bromo-5-methoxypentan-2-one
CID 12794990
1-(2-methoxyethoxy)heptan-3-one
CID 102927335
1-(2,2-difluoroethoxy)-4-methylpentan-3-one
CID 103147305
1,8-dimethoxyoctane-4,5-dione
CID 139993978
1-methoxynonan-4-one
CID 65091900
3-(2,2-difluoroethoxy)propanoyl chloride
CID 103208649
1,1,1-trifluoro-7-methoxyheptan-4-one
CID 65092607
N-(2-chloro-3-methoxypropyl)-3-(2,2-difluoroethoxy)propanamide
CID 103212347
1-(dimethylamino)-6-methoxyhexan-3-one
CID 114854223
3-(2,2-difluoroethoxy)-N-(4-hydroxy-1-methoxybutan-2-yl)propanamide
CID 103525153

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethoxy)-6-methoxyhexan-3-one?
The IUPAC name of 1-(2,2-difluoroethoxy)-6-methoxyhexan-3-one (CID 103147119) is 1-(2,2-difluoroethoxy)-6-methoxyhexan-3-one.
What is the SMILES notation for 1-(2,2-difluoroethoxy)-6-methoxyhexan-3-one?
The canonical SMILES for 1-(2,2-difluoroethoxy)-6-methoxyhexan-3-one is COCCCC(=O)CCOCC(F)F.
What is the InChIKey of 1-(2,2-difluoroethoxy)-6-methoxyhexan-3-one?
The InChIKey is GWNPKKMSXLXMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2O3/c1-13-5-2-3-8(12)4-6-14-7-9(10)11/h9H,2-7H2,1H3.
What are the key properties of 1-(2,2-difluoroethoxy)-6-methoxyhexan-3-one?
1-(2,2-difluoroethoxy)-6-methoxyhexan-3-one has a molecular weight of 210.22 g/mol, XLogP of 1.65, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethoxy)-6-methoxyhexan-3-one is sourced from PubChem (CID 103147119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).