[(2S)-3-fluoro-2-methylpropyl] acetate

C6H11FO2 — CID 89049940

IUPAC[(2S)-3-fluoro-2-methylpropyl] acetate
SMILESCC(=O)OC[C@H](C)CF
InChIInChI=1S/C6H11FO2/c1-5(3-7)4-9-6(2)8/h5H,3-4H2,1-2H3/t5-/m1/s1
InChIKeyXHMORWZPMZBYGT-RXMQYKEDSA-N
MW134.15 g/mol
LogP1.16
Rot. Bonds3

About [(2S)-3-fluoro-2-methylpropyl] acetate

[(2S)-3-fluoro-2-methylpropyl] acetate (PubChem CID 89049940) has the molecular formula C6H11FO2 and a molecular weight of 134.15 g/mol. Its IUPAC name is [(2S)-3-fluoro-2-methylpropyl] acetate.

Molecular Properties

Compound Name[(2S)-3-fluoro-2-methylpropyl] acetate
PubChem CID89049940
Molecular FormulaC6H11FO2
Molecular Weight134.15 g/mol
Exact Mass134.07
IUPAC Name[(2S)-3-fluoro-2-methylpropyl] acetate
SMILESCC(=O)OC[C@H](C)CF
InChIInChI=1S/C6H11FO2/c1-5(3-7)4-9-6(2)8/h5H,3-4H2,1-2H3/t5-/m1/s1
InChIKeyXHMORWZPMZBYGT-RXMQYKEDSA-N
XLogP1.16
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.15
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Isoamyl Acetate
CID 31276
Isobutyl Acetate
CID 8038
2-Methylbutyl Acetate
CID 12209
Ethyl isobutyrate
CID 7342
Isobutyl propionate
CID 10895
Propyl isobutyrate
CID 12571
Ethyl 2-Fluoropropionate
CID 265947
Acetic acid, fluoro-, isopropyl ester
CID 9839
Ethyl 2-fluoroisobutyrate
CID 10898763
2,2-Dimethyl-1-propanol acetate
CID 13552
Isobutyl trifluoroacetate
CID 519410
Trifluoroacetic acid, 2,2-dimethylpropyl ester
CID 522588

Frequently Asked Questions

What is the IUPAC name of [(2S)-3-fluoro-2-methylpropyl] acetate?
The IUPAC name of [(2S)-3-fluoro-2-methylpropyl] acetate (CID 89049940) is [(2S)-3-fluoro-2-methylpropyl] acetate.
What is the SMILES notation for [(2S)-3-fluoro-2-methylpropyl] acetate?
The canonical SMILES for [(2S)-3-fluoro-2-methylpropyl] acetate is CC(=O)OC[C@H](C)CF.
What is the InChIKey of [(2S)-3-fluoro-2-methylpropyl] acetate?
The InChIKey is XHMORWZPMZBYGT-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H11FO2/c1-5(3-7)4-9-6(2)8/h5H,3-4H2,1-2H3/t5-/m1/s1.
What are the key properties of [(2S)-3-fluoro-2-methylpropyl] acetate?
[(2S)-3-fluoro-2-methylpropyl] acetate has a molecular weight of 134.15 g/mol, XLogP of 1.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-3-fluoro-2-methylpropyl] acetate is sourced from PubChem (CID 89049940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).