1-fluorobutane;methoxymethane

C6H15FO — CID 87949716

IUPAC1-fluorobutane;methoxymethane
SMILESCCCCF.COC
InChIInChI=1S/C4H9F.C2H6O/c1-2-3-4-5;1-3-2/h2-4H2,1H3;1-2H3
InChIKeyMBWKIEGPEXEZES-UHFFFAOYSA-N
MW122.18 g/mol
LogP2.02
Rot. Bonds2

About 1-fluorobutane;methoxymethane

1-fluorobutane;methoxymethane (PubChem CID 87949716) has the molecular formula C6H15FO and a molecular weight of 122.18 g/mol. Its IUPAC name is 1-fluorobutane;methoxymethane.

Molecular Properties

Compound Name1-fluorobutane;methoxymethane
PubChem CID87949716
Molecular FormulaC6H15FO
Molecular Weight122.18 g/mol
Exact Mass122.11
IUPAC Name1-fluorobutane;methoxymethane
SMILESCCCCF.COC
InChIInChI=1S/C4H9F.C2H6O/c1-2-3-4-5;1-3-2/h2-4H2,1H3;1-2H3
InChIKeyMBWKIEGPEXEZES-UHFFFAOYSA-N
XLogP2.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.18
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-fluorobutane;methoxymethane?
The IUPAC name of 1-fluorobutane;methoxymethane (CID 87949716) is 1-fluorobutane;methoxymethane.
What is the SMILES notation for 1-fluorobutane;methoxymethane?
The canonical SMILES for 1-fluorobutane;methoxymethane is CCCCF.COC.
What is the InChIKey of 1-fluorobutane;methoxymethane?
The InChIKey is MBWKIEGPEXEZES-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9F.C2H6O/c1-2-3-4-5;1-3-2/h2-4H2,1H3;1-2H3.
What are the key properties of 1-fluorobutane;methoxymethane?
1-fluorobutane;methoxymethane has a molecular weight of 122.18 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluorobutane;methoxymethane is sourced from PubChem (CID 87949716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).