2-fluoro-1-[(2-methylpropan-2-yl)oxy]butane

C8H17FO — CID 58266770

IUPAC2-fluoro-1-[(2-methylpropan-2-yl)oxy]butane
SMILESCCC(F)COC(C)(C)C
InChIInChI=1S/C8H17FO/c1-5-7(9)6-10-8(2,3)4/h7H,5-6H2,1-4H3
InChIKeyAXQDZLZPKKWVEQ-UHFFFAOYSA-N
MW148.22 g/mol
LogP2.55
Rot. Bonds3

About 2-fluoro-1-[(2-methylpropan-2-yl)oxy]butane

2-fluoro-1-[(2-methylpropan-2-yl)oxy]butane (PubChem CID 58266770) has the molecular formula C8H17FO and a molecular weight of 148.22 g/mol. Its IUPAC name is 2-fluoro-1-[(2-methylpropan-2-yl)oxy]butane.

Molecular Properties

Compound Name2-fluoro-1-[(2-methylpropan-2-yl)oxy]butane
PubChem CID58266770
Molecular FormulaC8H17FO
Molecular Weight148.22 g/mol
Exact Mass148.13
IUPAC Name2-fluoro-1-[(2-methylpropan-2-yl)oxy]butane
SMILESCCC(F)COC(C)(C)C
InChIInChI=1S/C8H17FO/c1-5-7(9)6-10-8(2,3)4/h7H,5-6H2,1-4H3
InChIKeyAXQDZLZPKKWVEQ-UHFFFAOYSA-N
XLogP2.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.22
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-[(2-methylpropan-2-yl)oxy]butane?
The IUPAC name of 2-fluoro-1-[(2-methylpropan-2-yl)oxy]butane (CID 58266770) is 2-fluoro-1-[(2-methylpropan-2-yl)oxy]butane.
What is the SMILES notation for 2-fluoro-1-[(2-methylpropan-2-yl)oxy]butane?
The canonical SMILES for 2-fluoro-1-[(2-methylpropan-2-yl)oxy]butane is CCC(F)COC(C)(C)C.
What is the InChIKey of 2-fluoro-1-[(2-methylpropan-2-yl)oxy]butane?
The InChIKey is AXQDZLZPKKWVEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17FO/c1-5-7(9)6-10-8(2,3)4/h7H,5-6H2,1-4H3.
What are the key properties of 2-fluoro-1-[(2-methylpropan-2-yl)oxy]butane?
2-fluoro-1-[(2-methylpropan-2-yl)oxy]butane has a molecular weight of 148.22 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-[(2-methylpropan-2-yl)oxy]butane is sourced from PubChem (CID 58266770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).