1,1,2,2,3,3-hexafluoro-4-methyl-1-[(2-methylpropan-2-yl)oxy]pentane

C10H16F6O — CID 89366849

IUPAC1,1,2,2,3,3-hexafluoro-4-methyl-1-[(2-methylpropan-2-yl)oxy]pentane
SMILESCC(C)C(F)(F)C(F)(F)C(F)(F)OC(C)(C)C
InChIInChI=1S/C10H16F6O/c1-6(2)8(11,12)9(13,14)10(15,16)17-7(3,4)5/h6H,1-5H3
InChIKeyFOPVJXDMZUIPQK-UHFFFAOYSA-N
MW266.23 g/mol
LogP4.32
Rot. Bonds4

About 1,1,2,2,3,3-hexafluoro-4-methyl-1-[(2-methylpropan-2-yl)oxy]pentane

1,1,2,2,3,3-hexafluoro-4-methyl-1-[(2-methylpropan-2-yl)oxy]pentane (PubChem CID 89366849) has the molecular formula C10H16F6O and a molecular weight of 266.23 g/mol. Its IUPAC name is 1,1,2,2,3,3-hexafluoro-4-methyl-1-[(2-methylpropan-2-yl)oxy]pentane.

Molecular Properties

Compound Name1,1,2,2,3,3-hexafluoro-4-methyl-1-[(2-methylpropan-2-yl)oxy]pentane
PubChem CID89366849
Molecular FormulaC10H16F6O
Molecular Weight266.23 g/mol
Exact Mass266.11
IUPAC Name1,1,2,2,3,3-hexafluoro-4-methyl-1-[(2-methylpropan-2-yl)oxy]pentane
SMILESCC(C)C(F)(F)C(F)(F)C(F)(F)OC(C)(C)C
InChIInChI=1S/C10H16F6O/c1-6(2)8(11,12)9(13,14)10(15,16)17-7(3,4)5/h6H,1-5H3
InChIKeyFOPVJXDMZUIPQK-UHFFFAOYSA-N
XLogP4.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.23
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1,1,2,2,3,3-hexafluoro-4-methyl-1-[(2-methylpropan-2-yl)oxy]pentane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,1,1,2,2,3,3,5,5,5-Decafluoro-4-methyl-4-(2-methylpropoxy)pentane
CID 19761932
1,1,1,2,2,3,3,5,5,5-Decafluoro-4-methyl-4-(3-methylbutoxy)pentane
CID 19761941
1,1,1,2,2,3,3,5,5,5-Decafluoro-4-(3-methylbutoxy)-4-(trifluoromethyl)pentane
CID 19761962
1,1,1,2,2,3,3,5,5,5-Decafluoro-4-(2-methylpropoxy)-4-(trifluoromethyl)pentane
CID 19761970
2,4-Dimethyl-2-(trifluoromethoxy)pentane
CID 19768856
1,1,1-Trifluoro-4-methyl-2-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)hexane
CID 20756248
2-[Difluoro(1,1,2,2-tetrafluoropropoxy)methyl]-1,1,1,4,5,5,5-heptafluoropentane
CID 58451690
2,2,4,4,7-Pentafluoro-5-[(2-methylpropan-2-yl)oxy]-5-(trifluoromethyl)nonane
CID 60034415
2,2,4,4-Tetrafluoro-7-(fluoromethyl)-5-[(2-methylpropan-2-yl)oxy]-5-(trifluoromethyl)nonane
CID 60034460
1,1,1,2-Tetrafluoro-4-methyl-2-(1,1,1,2-tetrafluoro-4-methylpentan-2-yl)oxypentane
CID 87772963
2-[Difluoro-[1,1,2-trifluoro-2-(trifluoromethyl)pentoxy]methyl]-1,1,1,2-tetrafluoropentane
CID 87992371
1,1,1,2,2,3-Hexafluoro-3-(1,1,1,2,2,3-hexafluoro-4-methylpentan-3-yl)oxy-4-methylpentane
CID 88844228

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3-hexafluoro-4-methyl-1-[(2-methylpropan-2-yl)oxy]pentane?
The IUPAC name of 1,1,2,2,3,3-hexafluoro-4-methyl-1-[(2-methylpropan-2-yl)oxy]pentane (CID 89366849) is 1,1,2,2,3,3-hexafluoro-4-methyl-1-[(2-methylpropan-2-yl)oxy]pentane.
What is the SMILES notation for 1,1,2,2,3,3-hexafluoro-4-methyl-1-[(2-methylpropan-2-yl)oxy]pentane?
The canonical SMILES for 1,1,2,2,3,3-hexafluoro-4-methyl-1-[(2-methylpropan-2-yl)oxy]pentane is CC(C)C(F)(F)C(F)(F)C(F)(F)OC(C)(C)C.
What is the InChIKey of 1,1,2,2,3,3-hexafluoro-4-methyl-1-[(2-methylpropan-2-yl)oxy]pentane?
The InChIKey is FOPVJXDMZUIPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F6O/c1-6(2)8(11,12)9(13,14)10(15,16)17-7(3,4)5/h6H,1-5H3.
What are the key properties of 1,1,2,2,3,3-hexafluoro-4-methyl-1-[(2-methylpropan-2-yl)oxy]pentane?
1,1,2,2,3,3-hexafluoro-4-methyl-1-[(2-methylpropan-2-yl)oxy]pentane has a molecular weight of 266.23 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3-hexafluoro-4-methyl-1-[(2-methylpropan-2-yl)oxy]pentane is sourced from PubChem (CID 89366849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).