3,3-difluorohexan-2-one;ethane

C8H16F2O — CID 144710349

IUPAC3,3-difluorohexan-2-one;ethane
SMILESCC.CCCC(F)(F)C(C)=O
InChIInChI=1S/C6H10F2O.C2H6/c1-3-4-6(7,8)5(2)9;1-2/h3-4H2,1-2H3;1-2H3
InChIKeyRLPIBOYRNZSGCQ-UHFFFAOYSA-N
MW166.21 g/mol
LogP3.04
Rot. Bonds3

About 3,3-difluorohexan-2-one;ethane

3,3-difluorohexan-2-one;ethane (PubChem CID 144710349) has the molecular formula C8H16F2O and a molecular weight of 166.21 g/mol. Its IUPAC name is 3,3-difluorohexan-2-one;ethane.

Molecular Properties

Compound Name3,3-difluorohexan-2-one;ethane
PubChem CID144710349
Molecular FormulaC8H16F2O
Molecular Weight166.21 g/mol
Exact Mass166.12
IUPAC Name3,3-difluorohexan-2-one;ethane
SMILESCC.CCCC(F)(F)C(C)=O
InChIInChI=1S/C6H10F2O.C2H6/c1-3-4-6(7,8)5(2)9;1-2/h3-4H2,1-2H3;1-2H3
InChIKeyRLPIBOYRNZSGCQ-UHFFFAOYSA-N
XLogP3.04
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.21
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-fluoro-3-methylhexan-2-one
CID 157210993
2-fluoro-2-methylpentanamide
CID 134346431
2-methyl-2-(3,3,3-trifluoropropylamino)pentanoic acid
CID 63227923
3-hydroxy-3-(hydroxymethyl)hexan-2-one
CID 174644471
ethanol;propan-2-one;1,1,1,2-tetrafluoroethane
CID 162080870
propane;propan-2-one
CID 90822370
3-methoxy-3-methylhexan-2-one
CID 83225432
3-hydroxy-3-propylhexane-2,5-dione
CID 57020206
ethane;3-fluoro-3-methylpentane;pentan-2-one
CID 142363622
3,3-difluoroheptan-2-one;3,3-difluoro-1-[methoxy(methyl)phosphoryl]heptan-2-one
CID 161084046
(2,3,4,5,6-pentafluorophenyl) 2,2-difluoropentanoate
CID 123361623
2-methyl-2-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]pentanoic acid
CID 103309128

Frequently Asked Questions

What is the IUPAC name of 3,3-difluorohexan-2-one;ethane?
The IUPAC name of 3,3-difluorohexan-2-one;ethane (CID 144710349) is 3,3-difluorohexan-2-one;ethane.
What is the SMILES notation for 3,3-difluorohexan-2-one;ethane?
The canonical SMILES for 3,3-difluorohexan-2-one;ethane is CC.CCCC(F)(F)C(C)=O.
What is the InChIKey of 3,3-difluorohexan-2-one;ethane?
The InChIKey is RLPIBOYRNZSGCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F2O.C2H6/c1-3-4-6(7,8)5(2)9;1-2/h3-4H2,1-2H3;1-2H3.
What are the key properties of 3,3-difluorohexan-2-one;ethane?
3,3-difluorohexan-2-one;ethane has a molecular weight of 166.21 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluorohexan-2-one;ethane is sourced from PubChem (CID 144710349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).