2-fluorobutyl 2-methoxypropanoate

C8H15FO3 — CID 88537574

IUPAC2-fluorobutyl 2-methoxypropanoate
SMILESCCC(F)COC(=O)C(C)OC
InChIInChI=1S/C8H15FO3/c1-4-7(9)5-12-8(10)6(2)11-3/h6-7H,4-5H2,1-3H3
InChIKeyABFGKERMTWZCLE-UHFFFAOYSA-N
MW178.20 g/mol
LogP1.31
Rot. Bonds5

About 2-fluorobutyl 2-methoxypropanoate

2-fluorobutyl 2-methoxypropanoate (PubChem CID 88537574) has the molecular formula C8H15FO3 and a molecular weight of 178.20 g/mol. Its IUPAC name is 2-fluorobutyl 2-methoxypropanoate.

Molecular Properties

Compound Name2-fluorobutyl 2-methoxypropanoate
PubChem CID88537574
Molecular FormulaC8H15FO3
Molecular Weight178.20 g/mol
Exact Mass178.10
IUPAC Name2-fluorobutyl 2-methoxypropanoate
SMILESCCC(F)COC(=O)C(C)OC
InChIInChI=1S/C8H15FO3/c1-4-7(9)5-12-8(10)6(2)11-3/h6-7H,4-5H2,1-3H3
InChIKeyABFGKERMTWZCLE-UHFFFAOYSA-N
XLogP1.31
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.20
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluorobutyl hydrogen carbonate
CID 87127877
ethyl 5-(2-methoxypropanoyloxy)-2,4-dimethylpentanoate
CID 20725148
ethyl 2-methoxypropanoate;2-methoxypropanoic acid
CID 161483069
methyl 2-methoxypropanoate;hydrochloride
CID 174449160
2,2-difluoroethyl 2-methylpropanoate
CID 87205519
2,2-difluoroethyl 2-fluoropropanoate
CID 141498564
2-methylbutyl 2-aminooxypropanoate
CID 178072336
ethyl 2-methoxycarbonyloxypropanoate
CID 14620012
2-aminobutyl 2-methylpropanoate
CID 123412425
2-methylbutyl 3,3,3-trifluoro-2-methoxypropanoate
CID 54012114
ethane;methyl (2R)-2-methylbutanoate
CID 143689114
ethyl 4-methoxy-2,2-dimethyl-3-oxopentanoate
CID 79616726

Frequently Asked Questions

What is the IUPAC name of 2-fluorobutyl 2-methoxypropanoate?
The IUPAC name of 2-fluorobutyl 2-methoxypropanoate (CID 88537574) is 2-fluorobutyl 2-methoxypropanoate.
What is the SMILES notation for 2-fluorobutyl 2-methoxypropanoate?
The canonical SMILES for 2-fluorobutyl 2-methoxypropanoate is CCC(F)COC(=O)C(C)OC.
What is the InChIKey of 2-fluorobutyl 2-methoxypropanoate?
The InChIKey is ABFGKERMTWZCLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15FO3/c1-4-7(9)5-12-8(10)6(2)11-3/h6-7H,4-5H2,1-3H3.
What are the key properties of 2-fluorobutyl 2-methoxypropanoate?
2-fluorobutyl 2-methoxypropanoate has a molecular weight of 178.20 g/mol, XLogP of 1.31, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluorobutyl 2-methoxypropanoate is sourced from PubChem (CID 88537574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).