3-fluorobutan-2-yl acetate

C6H11FO2 — CID 15210783

IUPAC3-fluorobutan-2-yl acetate
SMILESCC(=O)OC(C)C(C)F
InChIInChI=1S/C6H11FO2/c1-4(7)5(2)9-6(3)8/h4-5H,1-3H3
InChIKeyYRNBUYKADBJMKJ-UHFFFAOYSA-N
MW134.15 g/mol
LogP1.30
Rot. Bonds2

About 3-fluorobutan-2-yl acetate

3-fluorobutan-2-yl acetate (PubChem CID 15210783) has the molecular formula C6H11FO2 and a molecular weight of 134.15 g/mol. Its IUPAC name is 3-fluorobutan-2-yl acetate.

Molecular Properties

Compound Name3-fluorobutan-2-yl acetate
PubChem CID15210783
Molecular FormulaC6H11FO2
Molecular Weight134.15 g/mol
Exact Mass134.07
IUPAC Name3-fluorobutan-2-yl acetate
SMILESCC(=O)OC(C)C(C)F
InChIInChI=1S/C6H11FO2/c1-4(7)5(2)9-6(3)8/h4-5H,1-3H3
InChIKeyYRNBUYKADBJMKJ-UHFFFAOYSA-N
XLogP1.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.15
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(2S,3S,4S,5R)-3,4,5-triacetyloxyhexan-2-yl] acetate
CID 92643864
(1-chloro-1-hydroxypropan-2-yl) acetate
CID 87865269
[(E,2R,5R)-5-acetyloxyhex-3-en-2-yl] acetate
CID 166437845
propan-2-yl acetate;hydrochloride
CID 87336432
3-hydroxybutan-2-yl acetate;3-oxobutan-2-yl acetate
CID 54434658
(2S)-3-acetyloxy-2-aminobutanoic acid
CID 87141229
(3,4,5-triacetyloxy-6-hydroxyhexan-2-yl) acetate
CID 89196523
[(2R,3S)-3-methyl-4-oxohexan-2-yl] acetate
CID 10931886
(3-amino-4-oxobutan-2-yl) acetate
CID 22368175
3-acetyloxy-1,1,1-trifluorobutane-2-sulfonic acid
CID 177115328
3-isocyanatobutan-2-yl acetate
CID 90360581
[(2S,4R)-4-hydroxy-3-methylhexan-2-yl] acetate
CID 89020975

Frequently Asked Questions

What is the IUPAC name of 3-fluorobutan-2-yl acetate?
The IUPAC name of 3-fluorobutan-2-yl acetate (CID 15210783) is 3-fluorobutan-2-yl acetate.
What is the SMILES notation for 3-fluorobutan-2-yl acetate?
The canonical SMILES for 3-fluorobutan-2-yl acetate is CC(=O)OC(C)C(C)F.
What is the InChIKey of 3-fluorobutan-2-yl acetate?
The InChIKey is YRNBUYKADBJMKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FO2/c1-4(7)5(2)9-6(3)8/h4-5H,1-3H3.
What are the key properties of 3-fluorobutan-2-yl acetate?
3-fluorobutan-2-yl acetate has a molecular weight of 134.15 g/mol, XLogP of 1.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluorobutan-2-yl acetate is sourced from PubChem (CID 15210783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).