1-(2,2-difluoroethoxy)-4-methylpentan-3-one

C8H14F2O2 — CID 103147305

IUPAC1-(2,2-difluoroethoxy)-4-methylpentan-3-one
SMILESCC(C)C(=O)CCOCC(F)F
InChIInChI=1S/C8H14F2O2/c1-6(2)7(11)3-4-12-5-8(9)10/h6,8H,3-5H2,1-2H3
InChIKeyVBGLXCFRANLODY-UHFFFAOYSA-N
MW180.19 g/mol
LogP1.88
Rot. Bonds6

About 1-(2,2-difluoroethoxy)-4-methylpentan-3-one

1-(2,2-difluoroethoxy)-4-methylpentan-3-one (PubChem CID 103147305) has the molecular formula C8H14F2O2 and a molecular weight of 180.19 g/mol. Its IUPAC name is 1-(2,2-difluoroethoxy)-4-methylpentan-3-one.

Molecular Properties

Compound Name1-(2,2-difluoroethoxy)-4-methylpentan-3-one
PubChem CID103147305
Molecular FormulaC8H14F2O2
Molecular Weight180.19 g/mol
Exact Mass180.10
IUPAC Name1-(2,2-difluoroethoxy)-4-methylpentan-3-one
SMILESCC(C)C(=O)CCOCC(F)F
InChIInChI=1S/C8H14F2O2/c1-6(2)7(11)3-4-12-5-8(9)10/h6,8H,3-5H2,1-2H3
InChIKeyVBGLXCFRANLODY-UHFFFAOYSA-N
XLogP1.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.19
LogP ≤ 51.88
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-(2,2-difluoroethoxy)-6-methoxy-4-methylhexan-3-one
CID 103147041
diethyl 2-[3-(2,2-difluoroethoxy)propanoyl]propanedioate
CID 103150185
3-(2,2-difluoroethoxy)propanoyl chloride
CID 103208649
1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-methylpentan-3-one
CID 176767842
4-methyl-1-[2-(2-propoxyethoxy)ethoxy]pentan-3-one
CID 140823499
4-methyl-1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pentan-3-one
CID 176650799
2-[3-(2,2-difluoroethoxy)propanoylamino]propanoic acid
CID 103205780
N-[1-(4-methyl-3-oxopentoxy)-3-(3-oxobutoxy)propan-2-yl]acetamide
CID 167221569
N-(1-bromopropan-2-yl)-3-(2,2-difluoroethoxy)propanamide
CID 103212483
1-(2,2-difluoroethoxy)-6-methoxyhexan-3-one
CID 103147119
4-[3-(2,2-difluoroethoxy)propanoylamino]pentanoic acid
CID 103206025
N-(4-aminobutan-2-yl)-3-(2,2-difluoroethoxy)propanamide
CID 103205439

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethoxy)-4-methylpentan-3-one?
The IUPAC name of 1-(2,2-difluoroethoxy)-4-methylpentan-3-one (CID 103147305) is 1-(2,2-difluoroethoxy)-4-methylpentan-3-one.
What is the SMILES notation for 1-(2,2-difluoroethoxy)-4-methylpentan-3-one?
The canonical SMILES for 1-(2,2-difluoroethoxy)-4-methylpentan-3-one is CC(C)C(=O)CCOCC(F)F.
What is the InChIKey of 1-(2,2-difluoroethoxy)-4-methylpentan-3-one?
The InChIKey is VBGLXCFRANLODY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2O2/c1-6(2)7(11)3-4-12-5-8(9)10/h6,8H,3-5H2,1-2H3.
What are the key properties of 1-(2,2-difluoroethoxy)-4-methylpentan-3-one?
1-(2,2-difluoroethoxy)-4-methylpentan-3-one has a molecular weight of 180.19 g/mol, XLogP of 1.88, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethoxy)-4-methylpentan-3-one is sourced from PubChem (CID 103147305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).