2,2,3,3,4,4,5,5-octafluoro-1-(2-methylpropoxy)hexane

C10H14F8O — CID 19782043

IUPAC2,2,3,3,4,4,5,5-octafluoro-1-(2-methylpropoxy)hexane
SMILESCC(C)COCC(F)(F)C(F)(F)C(F)(F)C(C)(F)F
InChIInChI=1S/C10H14F8O/c1-6(2)4-19-5-8(13,14)10(17,18)9(15,16)7(3,11)12/h6H,4-5H2,1-3H3
InChIKeyZUFDOSFSCQEATD-UHFFFAOYSA-N
MW302.21 g/mol
LogP4.22
Rot. Bonds7

About 2,2,3,3,4,4,5,5-octafluoro-1-(2-methylpropoxy)hexane

2,2,3,3,4,4,5,5-octafluoro-1-(2-methylpropoxy)hexane (PubChem CID 19782043) has the molecular formula C10H14F8O and a molecular weight of 302.21 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5-octafluoro-1-(2-methylpropoxy)hexane.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5-octafluoro-1-(2-methylpropoxy)hexane
PubChem CID19782043
Molecular FormulaC10H14F8O
Molecular Weight302.21 g/mol
Exact Mass302.09
IUPAC Name2,2,3,3,4,4,5,5-octafluoro-1-(2-methylpropoxy)hexane
SMILESCC(C)COCC(F)(F)C(F)(F)C(F)(F)C(C)(F)F
InChIInChI=1S/C10H14F8O/c1-6(2)4-19-5-8(13,14)10(17,18)9(15,16)7(3,11)12/h6H,4-5H2,1-3H3
InChIKeyZUFDOSFSCQEATD-UHFFFAOYSA-N
XLogP4.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.21
LogP ≤ 54.22
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

2,2,3,3,4,4,5,5,6,6-decafluoro-1-methoxyheptane
CID 158825980
1-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxy)propan-2-ol
CID 14693074
2,2,3,3,4,4-hexafluoro-1-propoxypentane
CID 122536211
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-8-[2-methoxy-3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxy)propoxy]octane
CID 170096223
2-methyl-1-(2,2,2-trichloroethoxy)propane
CID 138495364
5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-4,4-dimethyl-1-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptoxy)decan-2-ol
CID 172565177
2,2-dimethyl-1-(2-methylpropoxy)pentane
CID 88914355
1,3-bis(2,2,3,3,4,4,4-heptafluorobutoxy)propan-2-ol
CID 98454538
1,3-bis(2,2,3,3,4,4,5,5,6,6-decafluorohexoxy)propan-2-ol
CID 172565018
N,2,2-trimethyl-3-(2-methylpropoxy)propan-1-amine
CID 79620527
methane;2-methyl-1-(2-methylpropoxy)propane
CID 162245040
1-bromo-2-methyl-2-(2-methylpropoxymethyl)butane
CID 165447149

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,5,5-octafluoro-1-(2-methylpropoxy)hexane?
The IUPAC name of 2,2,3,3,4,4,5,5-octafluoro-1-(2-methylpropoxy)hexane (CID 19782043) is 2,2,3,3,4,4,5,5-octafluoro-1-(2-methylpropoxy)hexane.
What is the SMILES notation for 2,2,3,3,4,4,5,5-octafluoro-1-(2-methylpropoxy)hexane?
The canonical SMILES for 2,2,3,3,4,4,5,5-octafluoro-1-(2-methylpropoxy)hexane is CC(C)COCC(F)(F)C(F)(F)C(F)(F)C(C)(F)F.
What is the InChIKey of 2,2,3,3,4,4,5,5-octafluoro-1-(2-methylpropoxy)hexane?
The InChIKey is ZUFDOSFSCQEATD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F8O/c1-6(2)4-19-5-8(13,14)10(17,18)9(15,16)7(3,11)12/h6H,4-5H2,1-3H3.
What are the key properties of 2,2,3,3,4,4,5,5-octafluoro-1-(2-methylpropoxy)hexane?
2,2,3,3,4,4,5,5-octafluoro-1-(2-methylpropoxy)hexane has a molecular weight of 302.21 g/mol, XLogP of 4.22, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5-octafluoro-1-(2-methylpropoxy)hexane is sourced from PubChem (CID 19782043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).