2-fluoro-2-propoxybutane

C7H15FO — CID 20826492

IUPAC2-fluoro-2-propoxybutane
SMILESCCCOC(C)(F)CC
InChIInChI=1S/C7H15FO/c1-4-6-9-7(3,8)5-2/h4-6H2,1-3H3
InChIKeyULJQHHUOPNAQCS-UHFFFAOYSA-N
MW134.19 g/mol
LogP2.51
Rot. Bonds4

About 2-fluoro-2-propoxybutane

2-fluoro-2-propoxybutane (PubChem CID 20826492) has the molecular formula C7H15FO and a molecular weight of 134.19 g/mol. Its IUPAC name is 2-fluoro-2-propoxybutane.

Molecular Properties

Compound Name2-fluoro-2-propoxybutane
PubChem CID20826492
Molecular FormulaC7H15FO
Molecular Weight134.19 g/mol
Exact Mass134.11
IUPAC Name2-fluoro-2-propoxybutane
SMILESCCCOC(C)(F)CC
InChIInChI=1S/C7H15FO/c1-4-6-9-7(3,8)5-2/h4-6H2,1-3H3
InChIKeyULJQHHUOPNAQCS-UHFFFAOYSA-N
XLogP2.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.19
LogP ≤ 52.51
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
Propane, 1-(1-methylethoxy)-
CID 12304
Difluormethyl-ather
CID 10464348
Diisopropyl ether-13C6
CID 71308954
Fluorobutyl methyl ether
CID 20582799
Fluorodiethyl ether
CID 21616970
Isopropyl fluoromethyl ether
CID 21954138
2-Ethoxy-1,1,1-trifluoropropane
CID 53966619
Bis(3-fluoropropyl)ether
CID 56776417
[(s)-1-Methyl-propyl]-ethyl ether
CID 57895829

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-propoxybutane?
The IUPAC name of 2-fluoro-2-propoxybutane (CID 20826492) is 2-fluoro-2-propoxybutane.
What is the SMILES notation for 2-fluoro-2-propoxybutane?
The canonical SMILES for 2-fluoro-2-propoxybutane is CCCOC(C)(F)CC.
What is the InChIKey of 2-fluoro-2-propoxybutane?
The InChIKey is ULJQHHUOPNAQCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15FO/c1-4-6-9-7(3,8)5-2/h4-6H2,1-3H3.
What are the key properties of 2-fluoro-2-propoxybutane?
2-fluoro-2-propoxybutane has a molecular weight of 134.19 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-propoxybutane is sourced from PubChem (CID 20826492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).