2-fluoro-1,3-dimethoxypropane

C5H11FO2 — CID 21301613

IUPAC2-fluoro-1,3-dimethoxypropane
SMILESCOCC(F)COC
InChIInChI=1S/C5H11FO2/c1-7-3-5(6)4-8-2/h5H,3-4H2,1-2H3
InChIKeyBKEZCUPIMQOSFW-UHFFFAOYSA-N
MW122.14 g/mol
LogP0.62
Rot. Bonds4

About 2-fluoro-1,3-dimethoxypropane

2-fluoro-1,3-dimethoxypropane (PubChem CID 21301613) has the molecular formula C5H11FO2 and a molecular weight of 122.14 g/mol. Its IUPAC name is 2-fluoro-1,3-dimethoxypropane.

Molecular Properties

Compound Name2-fluoro-1,3-dimethoxypropane
PubChem CID21301613
Molecular FormulaC5H11FO2
Molecular Weight122.14 g/mol
Exact Mass122.07
IUPAC Name2-fluoro-1,3-dimethoxypropane
SMILESCOCC(F)COC
InChIInChI=1S/C5H11FO2/c1-7-3-5(6)4-8-2/h5H,3-4H2,1-2H3
InChIKeyBKEZCUPIMQOSFW-UHFFFAOYSA-N
XLogP0.62
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.14
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1,3-dimethoxypropane?
The IUPAC name of 2-fluoro-1,3-dimethoxypropane (CID 21301613) is 2-fluoro-1,3-dimethoxypropane.
What is the SMILES notation for 2-fluoro-1,3-dimethoxypropane?
The canonical SMILES for 2-fluoro-1,3-dimethoxypropane is COCC(F)COC.
What is the InChIKey of 2-fluoro-1,3-dimethoxypropane?
The InChIKey is BKEZCUPIMQOSFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11FO2/c1-7-3-5(6)4-8-2/h5H,3-4H2,1-2H3.
What are the key properties of 2-fluoro-1,3-dimethoxypropane?
2-fluoro-1,3-dimethoxypropane has a molecular weight of 122.14 g/mol, XLogP of 0.62, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1,3-dimethoxypropane is sourced from PubChem (CID 21301613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).