2,3-difluoro-1-[(2-methylpropan-2-yl)oxy]butane

C8H16F2O — CID 88885877

IUPAC2,3-difluoro-1-[(2-methylpropan-2-yl)oxy]butane
SMILESCC(F)C(F)COC(C)(C)C
InChIInChI=1S/C8H16F2O/c1-6(9)7(10)5-11-8(2,3)4/h6-7H,5H2,1-4H3
InChIKeyWABKGKSPVAJUJE-UHFFFAOYSA-N
MW166.21 g/mol
LogP2.50
Rot. Bonds3

About 2,3-difluoro-1-[(2-methylpropan-2-yl)oxy]butane

2,3-difluoro-1-[(2-methylpropan-2-yl)oxy]butane (PubChem CID 88885877) has the molecular formula C8H16F2O and a molecular weight of 166.21 g/mol. Its IUPAC name is 2,3-difluoro-1-[(2-methylpropan-2-yl)oxy]butane.

Molecular Properties

Compound Name2,3-difluoro-1-[(2-methylpropan-2-yl)oxy]butane
PubChem CID88885877
Molecular FormulaC8H16F2O
Molecular Weight166.21 g/mol
Exact Mass166.12
IUPAC Name2,3-difluoro-1-[(2-methylpropan-2-yl)oxy]butane
SMILESCC(F)C(F)COC(C)(C)C
InChIInChI=1S/C8H16F2O/c1-6(9)7(10)5-11-8(2,3)4/h6-7H,5H2,1-4H3
InChIKeyWABKGKSPVAJUJE-UHFFFAOYSA-N
XLogP2.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.21
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-1-[(2-methylpropan-2-yl)oxy]butane?
The IUPAC name of 2,3-difluoro-1-[(2-methylpropan-2-yl)oxy]butane (CID 88885877) is 2,3-difluoro-1-[(2-methylpropan-2-yl)oxy]butane.
What is the SMILES notation for 2,3-difluoro-1-[(2-methylpropan-2-yl)oxy]butane?
The canonical SMILES for 2,3-difluoro-1-[(2-methylpropan-2-yl)oxy]butane is CC(F)C(F)COC(C)(C)C.
What is the InChIKey of 2,3-difluoro-1-[(2-methylpropan-2-yl)oxy]butane?
The InChIKey is WABKGKSPVAJUJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F2O/c1-6(9)7(10)5-11-8(2,3)4/h6-7H,5H2,1-4H3.
What are the key properties of 2,3-difluoro-1-[(2-methylpropan-2-yl)oxy]butane?
2,3-difluoro-1-[(2-methylpropan-2-yl)oxy]butane has a molecular weight of 166.21 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-1-[(2-methylpropan-2-yl)oxy]butane is sourced from PubChem (CID 88885877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).