2-butan-2-yloxy-1,1,1,3,3,4,4,5,5,5-decafluoro-2-(trifluoromethyl)pentane

C10H9F13O — CID 19761963

IUPAC2-butan-2-yloxy-1,1,1,3,3,4,4,5,5,5-decafluoro-2-(trifluoromethyl)pentane
SMILESCCC(C)OC(C(F)(F)F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H9F13O/c1-3-4(2)24-5(8(15,16)17,9(18,19)20)6(11,12)7(13,14)10(21,22)23/h4H,3H2,1-2H3
InChIKeyUTGUSEMADHIKQJ-UHFFFAOYSA-N
MW392.16 g/mol
LogP5.50
Rot. Bonds5

About 2-butan-2-yloxy-1,1,1,3,3,4,4,5,5,5-decafluoro-2-(trifluoromethyl)pentane

2-butan-2-yloxy-1,1,1,3,3,4,4,5,5,5-decafluoro-2-(trifluoromethyl)pentane (PubChem CID 19761963) has the molecular formula C10H9F13O and a molecular weight of 392.16 g/mol. Its IUPAC name is 2-butan-2-yloxy-1,1,1,3,3,4,4,5,5,5-decafluoro-2-(trifluoromethyl)pentane.

Molecular Properties

Compound Name2-butan-2-yloxy-1,1,1,3,3,4,4,5,5,5-decafluoro-2-(trifluoromethyl)pentane
PubChem CID19761963
Molecular FormulaC10H9F13O
Molecular Weight392.16 g/mol
Exact Mass392.04
IUPAC Name2-butan-2-yloxy-1,1,1,3,3,4,4,5,5,5-decafluoro-2-(trifluoromethyl)pentane
SMILESCCC(C)OC(C(F)(F)F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H9F13O/c1-3-4(2)24-5(8(15,16)17,9(18,19)20)6(11,12)7(13,14)10(21,22)23/h4H,3H2,1-2H3
InChIKeyUTGUSEMADHIKQJ-UHFFFAOYSA-N
XLogP5.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.16
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-butan-2-yloxy-1,1,1,3,3,4,4,5,5,5-decafluoro-2-(trifluoromethyl)pentane with MolForge

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Related Compounds

3-Ethoxyperfluoro(2-methylhexane)
CID 2782436
Hexafluorisopropylmethylather
CID 129635123
4-Ethoxy-1,1,1,2,2,3,3,5,6,6,6-undecafluoro-5-(trifluoromethyl)hexane
CID 178337815
1-Fluoro-2-methyl-2-(2,2,2-trifluoroethoxy)pentane
CID 10584237
2-Fluoro-2-methyl-1-(2,2,2-trifluoroethoxy)pentane
CID 10798148
2-Butoxy-1,1,1,3,3,4,4,5,5,5-decafluoro-2-(trifluoromethyl)pentane
CID 12713814
1,1,1,2,3,3-Hexafluoro-4-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)pentane
CID 13271511
[1,1,1-Trifluoro-2-(trifluoromethyl)pentan-2-yl]oxycyclopentane
CID 13709899
1,1,1,2,2,3,3,5,5,5-Decafluoro-4-propoxy-4-(trifluoromethyl)pentane
CID 15006619
1,1,1,2,2,3,3,5,5,5-Decafluoro-4-methyl-4-propan-2-yloxypentane
CID 19761914
2-Butan-2-yloxy-1,1,1,3,3,4,4,5,5,5-decafluoro-2-methylpentane
CID 19761916
1,1,1,2,3,4,5,5,5-Nonafluoro-2,4-dimethyl-3-propan-2-yloxypentane
CID 19761918

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yloxy-1,1,1,3,3,4,4,5,5,5-decafluoro-2-(trifluoromethyl)pentane?
The IUPAC name of 2-butan-2-yloxy-1,1,1,3,3,4,4,5,5,5-decafluoro-2-(trifluoromethyl)pentane (CID 19761963) is 2-butan-2-yloxy-1,1,1,3,3,4,4,5,5,5-decafluoro-2-(trifluoromethyl)pentane.
What is the SMILES notation for 2-butan-2-yloxy-1,1,1,3,3,4,4,5,5,5-decafluoro-2-(trifluoromethyl)pentane?
The canonical SMILES for 2-butan-2-yloxy-1,1,1,3,3,4,4,5,5,5-decafluoro-2-(trifluoromethyl)pentane is CCC(C)OC(C(F)(F)F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2-butan-2-yloxy-1,1,1,3,3,4,4,5,5,5-decafluoro-2-(trifluoromethyl)pentane?
The InChIKey is UTGUSEMADHIKQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F13O/c1-3-4(2)24-5(8(15,16)17,9(18,19)20)6(11,12)7(13,14)10(21,22)23/h4H,3H2,1-2H3.
What are the key properties of 2-butan-2-yloxy-1,1,1,3,3,4,4,5,5,5-decafluoro-2-(trifluoromethyl)pentane?
2-butan-2-yloxy-1,1,1,3,3,4,4,5,5,5-decafluoro-2-(trifluoromethyl)pentane has a molecular weight of 392.16 g/mol, XLogP of 5.50, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yloxy-1,1,1,3,3,4,4,5,5,5-decafluoro-2-(trifluoromethyl)pentane is sourced from PubChem (CID 19761963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).