oxan-2-yl 2-fluoro-2-methylbutanoate

C10H17FO3 — CID 90141101

IUPACoxan-2-yl 2-fluoro-2-methylbutanoate
SMILESCCC(C)(F)C(=O)OC1CCCCO1
InChIInChI=1S/C10H17FO3/c1-3-10(2,11)9(12)14-8-6-4-5-7-13-8/h8H,3-7H2,1-2H3
InChIKeyKWSZHZOIWYAUNF-UHFFFAOYSA-N
MW204.24 g/mol
LogP2.19
Rot. Bonds3

About oxan-2-yl 2-fluoro-2-methylbutanoate

oxan-2-yl 2-fluoro-2-methylbutanoate (PubChem CID 90141101) has the molecular formula C10H17FO3 and a molecular weight of 204.24 g/mol. Its IUPAC name is oxan-2-yl 2-fluoro-2-methylbutanoate.

Molecular Properties

Compound Nameoxan-2-yl 2-fluoro-2-methylbutanoate
PubChem CID90141101
Molecular FormulaC10H17FO3
Molecular Weight204.24 g/mol
Exact Mass204.12
IUPAC Nameoxan-2-yl 2-fluoro-2-methylbutanoate
SMILESCCC(C)(F)C(=O)OC1CCCCO1
InChIInChI=1S/C10H17FO3/c1-3-10(2,11)9(12)14-8-6-4-5-7-13-8/h8H,3-7H2,1-2H3
InChIKeyKWSZHZOIWYAUNF-UHFFFAOYSA-N
XLogP2.19
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.24
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Oxan-2-yl 2-methyl-2-(trifluoromethyl)butanoate
CID 57806694
Oxan-2-yl 2,2-difluoropropanoate
CID 58391760
[2-(Oxan-2-yloxy)-2-oxoethyl] 2-fluoro-2-methylbutanoate
CID 90141099
Oxan-2-yl 2-fluoro-2-methylpropanoate
CID 90142713
(3-Fluorooxan-2-yl) acetate
CID 134578078
Oxan-2-yl butanoate
CID 14932559
Methyl 2-methyl-4-(oxan-2-yloxy)butanoate
CID 14214410
(5-Fluorooxan-2-yl) acetate
CID 45090760
[(5S)-5-fluorooxan-2-yl] acetate
CID 101272086
Methyl 2-ethoxyoxane-4-carboxylate
CID 13787794
Oxan-2-yl 2,2-dimethylpropanoate
CID 10679121
Oxan-2-yl propanoate
CID 10820838

Frequently Asked Questions

What is the IUPAC name of oxan-2-yl 2-fluoro-2-methylbutanoate?
The IUPAC name of oxan-2-yl 2-fluoro-2-methylbutanoate (CID 90141101) is oxan-2-yl 2-fluoro-2-methylbutanoate.
What is the SMILES notation for oxan-2-yl 2-fluoro-2-methylbutanoate?
The canonical SMILES for oxan-2-yl 2-fluoro-2-methylbutanoate is CCC(C)(F)C(=O)OC1CCCCO1.
What is the InChIKey of oxan-2-yl 2-fluoro-2-methylbutanoate?
The InChIKey is KWSZHZOIWYAUNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FO3/c1-3-10(2,11)9(12)14-8-6-4-5-7-13-8/h8H,3-7H2,1-2H3.
What are the key properties of oxan-2-yl 2-fluoro-2-methylbutanoate?
oxan-2-yl 2-fluoro-2-methylbutanoate has a molecular weight of 204.24 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-2-yl 2-fluoro-2-methylbutanoate is sourced from PubChem (CID 90141101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).