2-fluoro-1-methoxypropane

C4H9FO — CID 12700780

IUPAC2-fluoro-1-methoxypropane
SMILESCOCC(C)F
InChIInChI=1S/C4H9FO/c1-4(5)3-6-2/h4H,3H2,1-2H3
InChIKeyIINJUNCYXOVPGN-UHFFFAOYSA-N
MW92.11 g/mol
LogP0.99
Rot. Bonds2

About 2-fluoro-1-methoxypropane

2-fluoro-1-methoxypropane (PubChem CID 12700780) has the molecular formula C4H9FO and a molecular weight of 92.11 g/mol. Its IUPAC name is 2-fluoro-1-methoxypropane.

Molecular Properties

Compound Name2-fluoro-1-methoxypropane
PubChem CID12700780
Molecular FormulaC4H9FO
Molecular Weight92.11 g/mol
Exact Mass92.06
IUPAC Name2-fluoro-1-methoxypropane
SMILESCOCC(C)F
InChIInChI=1S/C4H9FO/c1-4(5)3-6-2/h4H,3H2,1-2H3
InChIKeyIINJUNCYXOVPGN-UHFFFAOYSA-N
XLogP0.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50092.11
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-methoxypropane?
The IUPAC name of 2-fluoro-1-methoxypropane (CID 12700780) is 2-fluoro-1-methoxypropane.
What is the SMILES notation for 2-fluoro-1-methoxypropane?
The canonical SMILES for 2-fluoro-1-methoxypropane is COCC(C)F.
What is the InChIKey of 2-fluoro-1-methoxypropane?
The InChIKey is IINJUNCYXOVPGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9FO/c1-4(5)3-6-2/h4H,3H2,1-2H3.
What are the key properties of 2-fluoro-1-methoxypropane?
2-fluoro-1-methoxypropane has a molecular weight of 92.11 g/mol, XLogP of 0.99, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-methoxypropane is sourced from PubChem (CID 12700780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).