2-fluoro-3-(fluoromethoxy)butane

C5H10F2O — CID 20793145

IUPAC2-fluoro-3-(fluoromethoxy)butane
SMILESCC(F)C(C)OCF
InChIInChI=1S/C5H10F2O/c1-4(7)5(2)8-3-6/h4-5H,3H2,1-2H3
InChIKeyHGUOURVQWXKVCQ-UHFFFAOYSA-N
MW124.13 g/mol
LogP1.68
Rot. Bonds3

About 2-fluoro-3-(fluoromethoxy)butane

2-fluoro-3-(fluoromethoxy)butane (PubChem CID 20793145) has the molecular formula C5H10F2O and a molecular weight of 124.13 g/mol. Its IUPAC name is 2-fluoro-3-(fluoromethoxy)butane.

Molecular Properties

Compound Name2-fluoro-3-(fluoromethoxy)butane
PubChem CID20793145
Molecular FormulaC5H10F2O
Molecular Weight124.13 g/mol
Exact Mass124.07
IUPAC Name2-fluoro-3-(fluoromethoxy)butane
SMILESCC(F)C(C)OCF
InChIInChI=1S/C5H10F2O/c1-4(7)5(2)8-3-6/h4-5H,3H2,1-2H3
InChIKeyHGUOURVQWXKVCQ-UHFFFAOYSA-N
XLogP1.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.13
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-Methoxypropane
CID 11721
Hexafluoroisopropyl methyl ether
CID 25749
2-Methoxybutane
CID 23238
2-(Difluoromethoxy)-1,1,1-trifluoropropane
CID 22178549
Difluormethyl-ather
CID 10464348
2-(Trifluoromethoxy)propane
CID 21068678
Isopropyl fluoromethyl ether
CID 21954138
1,1,1-Trifluoro-2-methoxy-propane
CID 22022770
Ethoxyhex a-fluorobutane
CID 53855163
2-Ethoxy-1,1,1-trifluoropropane
CID 53966619
(2R)-2-Methoxybutane
CID 642401
2-Fluoro-1-methoxypropane
CID 12700780

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-(fluoromethoxy)butane?
The IUPAC name of 2-fluoro-3-(fluoromethoxy)butane (CID 20793145) is 2-fluoro-3-(fluoromethoxy)butane.
What is the SMILES notation for 2-fluoro-3-(fluoromethoxy)butane?
The canonical SMILES for 2-fluoro-3-(fluoromethoxy)butane is CC(F)C(C)OCF.
What is the InChIKey of 2-fluoro-3-(fluoromethoxy)butane?
The InChIKey is HGUOURVQWXKVCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F2O/c1-4(7)5(2)8-3-6/h4-5H,3H2,1-2H3.
What are the key properties of 2-fluoro-3-(fluoromethoxy)butane?
2-fluoro-3-(fluoromethoxy)butane has a molecular weight of 124.13 g/mol, XLogP of 1.68, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-(fluoromethoxy)butane is sourced from PubChem (CID 20793145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).