1-fluoro-2-methoxybutane

C5H11FO — CID 20783144

IUPAC1-fluoro-2-methoxybutane
SMILESCCC(CF)OC
InChIInChI=1S/C5H11FO/c1-3-5(4-6)7-2/h5H,3-4H2,1-2H3
InChIKeyMAJUOOHVKFUNRR-UHFFFAOYSA-N
MW106.14 g/mol
LogP1.38
Rot. Bonds3

About 1-fluoro-2-methoxybutane

1-fluoro-2-methoxybutane (PubChem CID 20783144) has the molecular formula C5H11FO and a molecular weight of 106.14 g/mol. Its IUPAC name is 1-fluoro-2-methoxybutane.

Molecular Properties

Compound Name1-fluoro-2-methoxybutane
PubChem CID20783144
Molecular FormulaC5H11FO
Molecular Weight106.14 g/mol
Exact Mass106.08
IUPAC Name1-fluoro-2-methoxybutane
SMILESCCC(CF)OC
InChIInChI=1S/C5H11FO/c1-3-5(4-6)7-2/h5H,3-4H2,1-2H3
InChIKeyMAJUOOHVKFUNRR-UHFFFAOYSA-N
XLogP1.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.14
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Diisopropyl Ether
CID 7914
2-Ethoxybutane
CID 17586
Ethyl isopropyl ether
CID 12256
2-Methoxypropane
CID 11721
Propane, 1-(1-methylethoxy)-
CID 12304
2-Methoxybutane
CID 23238
3-Methoxypentane
CID 37545
Difluormethyl-ather
CID 10464348
Diisopropyl ether-13C6
CID 71308954
Fluorobutyl methyl ether
CID 20582799
2-(Trifluoromethoxy)propane
CID 21068678
Isopropyl fluoromethyl ether
CID 21954138

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-methoxybutane?
The IUPAC name of 1-fluoro-2-methoxybutane (CID 20783144) is 1-fluoro-2-methoxybutane.
What is the SMILES notation for 1-fluoro-2-methoxybutane?
The canonical SMILES for 1-fluoro-2-methoxybutane is CCC(CF)OC.
What is the InChIKey of 1-fluoro-2-methoxybutane?
The InChIKey is MAJUOOHVKFUNRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11FO/c1-3-5(4-6)7-2/h5H,3-4H2,1-2H3.
What are the key properties of 1-fluoro-2-methoxybutane?
1-fluoro-2-methoxybutane has a molecular weight of 106.14 g/mol, XLogP of 1.38, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-methoxybutane is sourced from PubChem (CID 20783144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).