1,1,1,2,2,3,3,5,5,5-decafluoro-4-methyl-4-(3-methylbutoxy)pentane

C11H14F10O — CID 19761941

IUPAC1,1,1,2,2,3,3,5,5,5-decafluoro-4-methyl-4-(3-methylbutoxy)pentane
SMILESCC(C)CCOC(C)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H14F10O/c1-6(2)4-5-22-7(3,10(16,17)18)8(12,13)9(14,15)11(19,20)21/h6H,4-5H2,1-3H3
InChIKeyPXBZMGVICNGRRO-UHFFFAOYSA-N
MW352.21 g/mol
LogP5.20
Rot. Bonds6

About 1,1,1,2,2,3,3,5,5,5-decafluoro-4-methyl-4-(3-methylbutoxy)pentane

1,1,1,2,2,3,3,5,5,5-decafluoro-4-methyl-4-(3-methylbutoxy)pentane (PubChem CID 19761941) has the molecular formula C11H14F10O and a molecular weight of 352.21 g/mol. Its IUPAC name is 1,1,1,2,2,3,3,5,5,5-decafluoro-4-methyl-4-(3-methylbutoxy)pentane.

Molecular Properties

Compound Name1,1,1,2,2,3,3,5,5,5-decafluoro-4-methyl-4-(3-methylbutoxy)pentane
PubChem CID19761941
Molecular FormulaC11H14F10O
Molecular Weight352.21 g/mol
Exact Mass352.09
IUPAC Name1,1,1,2,2,3,3,5,5,5-decafluoro-4-methyl-4-(3-methylbutoxy)pentane
SMILESCC(C)CCOC(C)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H14F10O/c1-6(2)4-5-22-7(3,10(16,17)18)8(12,13)9(14,15)11(19,20)21/h6H,4-5H2,1-3H3
InChIKeyPXBZMGVICNGRRO-UHFFFAOYSA-N
XLogP5.20
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.21
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1,1,1,2,2,3,3,5,5,5-decafluoro-4-methyl-4-(3-methylbutoxy)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

3-Ethoxyperfluoro(2-methylhexane)
CID 2782436
1-(2,2,3,3-Tetrafluoropropyloxy)-3-methylbutane
CID 129766049
Hexafluorisopropylmethylather
CID 129635123
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
1,1,1,2,2,3,3,5,5,5-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
2-Ethoxy-1,1,1,2,3,4,5,5,6,6,6-undecafluoro-4-methyl-3-propan-2-ylhexane
CID 19761925
1,1,1,2,2,3,3,5,5,5-Decafluoro-4-methyl-4-(2-methylpropoxy)pentane
CID 19761932

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2,3,3,5,5,5-decafluoro-4-methyl-4-(3-methylbutoxy)pentane?
The IUPAC name of 1,1,1,2,2,3,3,5,5,5-decafluoro-4-methyl-4-(3-methylbutoxy)pentane (CID 19761941) is 1,1,1,2,2,3,3,5,5,5-decafluoro-4-methyl-4-(3-methylbutoxy)pentane.
What is the SMILES notation for 1,1,1,2,2,3,3,5,5,5-decafluoro-4-methyl-4-(3-methylbutoxy)pentane?
The canonical SMILES for 1,1,1,2,2,3,3,5,5,5-decafluoro-4-methyl-4-(3-methylbutoxy)pentane is CC(C)CCOC(C)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2,3,3,5,5,5-decafluoro-4-methyl-4-(3-methylbutoxy)pentane?
The InChIKey is PXBZMGVICNGRRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F10O/c1-6(2)4-5-22-7(3,10(16,17)18)8(12,13)9(14,15)11(19,20)21/h6H,4-5H2,1-3H3.
What are the key properties of 1,1,1,2,2,3,3,5,5,5-decafluoro-4-methyl-4-(3-methylbutoxy)pentane?
1,1,1,2,2,3,3,5,5,5-decafluoro-4-methyl-4-(3-methylbutoxy)pentane has a molecular weight of 352.21 g/mol, XLogP of 5.20, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,3,3,5,5,5-decafluoro-4-methyl-4-(3-methylbutoxy)pentane is sourced from PubChem (CID 19761941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).