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

C8H16F2O — CID 58266311

IUPAC2,2-difluoro-1-[(2-methylpropan-2-yl)oxy]butane
SMILESCCC(F)(F)COC(C)(C)C
InChIInChI=1S/C8H16F2O/c1-5-8(9,10)6-11-7(2,3)4/h5-6H2,1-4H3
InChIKeyNMRMEBAFZYTJCP-UHFFFAOYSA-N
MW166.21 g/mol
LogP2.85
Rot. Bonds3

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

2,2-difluoro-1-[(2-methylpropan-2-yl)oxy]butane (PubChem CID 58266311) has the molecular formula C8H16F2O and a molecular weight of 166.21 g/mol. Its IUPAC name is 2,2-difluoro-1-[(2-methylpropan-2-yl)oxy]butane.

Molecular Properties

Compound Name2,2-difluoro-1-[(2-methylpropan-2-yl)oxy]butane
PubChem CID58266311
Molecular FormulaC8H16F2O
Molecular Weight166.21 g/mol
Exact Mass166.12
IUPAC Name2,2-difluoro-1-[(2-methylpropan-2-yl)oxy]butane
SMILESCCC(F)(F)COC(C)(C)C
InChIInChI=1S/C8H16F2O/c1-5-8(9,10)6-11-7(2,3)4/h5-6H2,1-4H3
InChIKeyNMRMEBAFZYTJCP-UHFFFAOYSA-N
XLogP2.85
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 ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,1-Difluoro-3-[(2-methylpropan-2-yl)oxy]cyclobutane
CID 117933256
1-Butoxy-2,2-difluorobutane
CID 15062445
1,1,1,3,3,3-Hexafluoro-2-methyl-2-propoxypropane
CID 138604548
gamma'-Difluorodibutyl ether
CID 129878663
2-Methyl-2-(2,2,2-trifluoroethoxy)propane
CID 13351891
1,1,1-Trifluoro-2-methyl-2-propan-2-yloxypropane
CID 20782610
2-Methyl-1-(4,4,4-trifluorobutoxy)butane
CID 21657863
3-Butoxy-1,1,1-trifluoro-2-methylpropane
CID 22002881
2-(Butoxymethyl)-1,1,1-trifluorobutane
CID 22002934
4-Butan-2-yloxy-1,1,1-trifluorobutane
CID 53759367
4-Butoxy-1,1-difluorobutane
CID 53988300
1,1-Difluoro-1-(3-fluoropropoxy)butane;difluoromethane;fluoromethane
CID 54474748

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-[(2-methylpropan-2-yl)oxy]butane?
The IUPAC name of 2,2-difluoro-1-[(2-methylpropan-2-yl)oxy]butane (CID 58266311) is 2,2-difluoro-1-[(2-methylpropan-2-yl)oxy]butane.
What is the SMILES notation for 2,2-difluoro-1-[(2-methylpropan-2-yl)oxy]butane?
The canonical SMILES for 2,2-difluoro-1-[(2-methylpropan-2-yl)oxy]butane is CCC(F)(F)COC(C)(C)C.
What is the InChIKey of 2,2-difluoro-1-[(2-methylpropan-2-yl)oxy]butane?
The InChIKey is NMRMEBAFZYTJCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F2O/c1-5-8(9,10)6-11-7(2,3)4/h5-6H2,1-4H3.
What are the key properties of 2,2-difluoro-1-[(2-methylpropan-2-yl)oxy]butane?
2,2-difluoro-1-[(2-methylpropan-2-yl)oxy]butane has a molecular weight of 166.21 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-[(2-methylpropan-2-yl)oxy]butane is sourced from PubChem (CID 58266311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).