2,2-difluorobutyl acetate

C6H10F2O2 — CID 58275605

IUPAC2,2-difluorobutyl acetate
SMILESCCC(F)(F)COC(C)=O
InChIInChI=1S/C6H10F2O2/c1-3-6(7,8)4-10-5(2)9/h3-4H2,1-2H3
InChIKeyFUEHILGJJPKTJC-UHFFFAOYSA-N
MW152.14 g/mol
LogP1.59
Rot. Bonds3

About 2,2-difluorobutyl acetate

2,2-difluorobutyl acetate (PubChem CID 58275605) has the molecular formula C6H10F2O2 and a molecular weight of 152.14 g/mol. Its IUPAC name is 2,2-difluorobutyl acetate.

Molecular Properties

Compound Name2,2-difluorobutyl acetate
PubChem CID58275605
Molecular FormulaC6H10F2O2
Molecular Weight152.14 g/mol
Exact Mass152.06
IUPAC Name2,2-difluorobutyl acetate
SMILESCCC(F)(F)COC(C)=O
InChIInChI=1S/C6H10F2O2/c1-3-6(7,8)4-10-5(2)9/h3-4H2,1-2H3
InChIKeyFUEHILGJJPKTJC-UHFFFAOYSA-N
XLogP1.59
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.14
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-acetyloxy-2,2-difluoropropyl) acetate
CID 59792531
(2-methyl-2-tellanylbutyl) acetate
CID 175046736
2,2-difluorobutyl 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate
CID 122498778
(2,2-diethyl-3,3-dimethylbutyl) acetate
CID 21363584
2,2-dimethylpropyl acetate
CID 13552
(2-ethyl-2-hydroxypentyl) acetate
CID 88749584
(2-ethyl-2-methylsulfanylbutyl) acetate
CID 142287040
2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctyl acetate
CID 154385185
(2,2-difluoro-2-nitroethyl) acetate
CID 87849810
(3,3,5,5,5-pentafluoro-2,2,4,4-tetramethylpentyl) acetate
CID 122500286
(2-methyl-2-propylpentyl) acetate
CID 89417633
[2-(acetyloxymethyl)-2-methyl-3-oxopentyl] acetate
CID 122525361

Frequently Asked Questions

What is the IUPAC name of 2,2-difluorobutyl acetate?
The IUPAC name of 2,2-difluorobutyl acetate (CID 58275605) is 2,2-difluorobutyl acetate.
What is the SMILES notation for 2,2-difluorobutyl acetate?
The canonical SMILES for 2,2-difluorobutyl acetate is CCC(F)(F)COC(C)=O.
What is the InChIKey of 2,2-difluorobutyl acetate?
The InChIKey is FUEHILGJJPKTJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F2O2/c1-3-6(7,8)4-10-5(2)9/h3-4H2,1-2H3.
What are the key properties of 2,2-difluorobutyl acetate?
2,2-difluorobutyl acetate has a molecular weight of 152.14 g/mol, XLogP of 1.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluorobutyl acetate is sourced from PubChem (CID 58275605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).