2-methyl-1-(2,2,3,3,3-pentafluoropropoxy)butane

C8H13F5O — CID 20793147

IUPAC2-methyl-1-(2,2,3,3,3-pentafluoropropoxy)butane
SMILESCCC(C)COCC(F)(F)C(F)(F)F
InChIInChI=1S/C8H13F5O/c1-3-6(2)4-14-5-7(9,10)8(11,12)13/h6H,3-5H2,1-2H3
InChIKeyMGXRQENMAHZICU-UHFFFAOYSA-N
MW220.18 g/mol
LogP3.25
Rot. Bonds5

About 2-methyl-1-(2,2,3,3,3-pentafluoropropoxy)butane

2-methyl-1-(2,2,3,3,3-pentafluoropropoxy)butane (PubChem CID 20793147) has the molecular formula C8H13F5O and a molecular weight of 220.18 g/mol. Its IUPAC name is 2-methyl-1-(2,2,3,3,3-pentafluoropropoxy)butane.

Molecular Properties

Compound Name2-methyl-1-(2,2,3,3,3-pentafluoropropoxy)butane
PubChem CID20793147
Molecular FormulaC8H13F5O
Molecular Weight220.18 g/mol
Exact Mass220.09
IUPAC Name2-methyl-1-(2,2,3,3,3-pentafluoropropoxy)butane
SMILESCCC(C)COCC(F)(F)C(F)(F)F
InChIInChI=1S/C8H13F5O/c1-3-6(2)4-14-5-7(9,10)8(11,12)13/h6H,3-5H2,1-2H3
InChIKeyMGXRQENMAHZICU-UHFFFAOYSA-N
XLogP3.25
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.18
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

1-Ethoxy-1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propane--1-ethoxy-1,1,2,2,3,3,4,4,4-nonafluorobutane (1/1)
CID 118797041
1-(2,2,3,3-Tetrafluoropropyloxy)-2-methylpropane
CID 90992962
1-(2,2,3,3-Tetrafluoropropyloxy)-3-methylbutane
CID 129766049
4-Ethoxy-1,2,2-trifluoro-3-methylbutane
CID 15507745
2-Fluoro-2-methyl-1-(2,2,2-trifluoroethoxy)pentane
CID 10798148
4-Butoxy-1,1,1,2,4,4-hexafluorobutane
CID 91735803
1,1,2,2,3,3,4,4-Octafluoro-5-(2-methylpropoxy)pentane
CID 14595650
2-(Difluoromethoxymethyl)-1,1,1,2,3,3,3-heptafluoropropane;1-ethoxy-1,1,2,2,3,3,4,4,4-nonafluorobutane
CID 17950340
1,3-Difluoro-2-(3-fluorobutoxymethyl)butane
CID 18335869
2-(Difluoromethyl)-4-[3-(difluoromethyl)-2,2,3,4,4,4-hexafluorobutoxy]-1,1,1,2,3,3-hexafluorobutane
CID 18798724
1,1,1,2-Tetrafluoro-3-methyl-2-(1,1,1,2-tetrafluoro-3-methylbutan-2-yl)oxybutane
CID 18913766
4-Ethoxy-1,1,1,2,3,3-hexafluoro-2-(trifluoromethyl)butane
CID 19063479

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2,2,3,3,3-pentafluoropropoxy)butane?
The IUPAC name of 2-methyl-1-(2,2,3,3,3-pentafluoropropoxy)butane (CID 20793147) is 2-methyl-1-(2,2,3,3,3-pentafluoropropoxy)butane.
What is the SMILES notation for 2-methyl-1-(2,2,3,3,3-pentafluoropropoxy)butane?
The canonical SMILES for 2-methyl-1-(2,2,3,3,3-pentafluoropropoxy)butane is CCC(C)COCC(F)(F)C(F)(F)F.
What is the InChIKey of 2-methyl-1-(2,2,3,3,3-pentafluoropropoxy)butane?
The InChIKey is MGXRQENMAHZICU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F5O/c1-3-6(2)4-14-5-7(9,10)8(11,12)13/h6H,3-5H2,1-2H3.
What are the key properties of 2-methyl-1-(2,2,3,3,3-pentafluoropropoxy)butane?
2-methyl-1-(2,2,3,3,3-pentafluoropropoxy)butane has a molecular weight of 220.18 g/mol, XLogP of 3.25, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2,2,3,3,3-pentafluoropropoxy)butane is sourced from PubChem (CID 20793147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).