3-ethoxy-1,1,1,2,2-pentafluoro-3-methylpentane

C8H13F5O — CID 59502999

IUPAC3-ethoxy-1,1,1,2,2-pentafluoro-3-methylpentane
SMILESCCOC(C)(CC)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H13F5O/c1-4-6(3,14-5-2)7(9,10)8(11,12)13/h4-5H2,1-3H3
InChIKeyBKFICGBOBPCOCE-UHFFFAOYSA-N
MW220.18 g/mol
LogP3.39
Rot. Bonds4

About 3-ethoxy-1,1,1,2,2-pentafluoro-3-methylpentane

3-ethoxy-1,1,1,2,2-pentafluoro-3-methylpentane (PubChem CID 59502999) has the molecular formula C8H13F5O and a molecular weight of 220.18 g/mol. Its IUPAC name is 3-ethoxy-1,1,1,2,2-pentafluoro-3-methylpentane.

Molecular Properties

Compound Name3-ethoxy-1,1,1,2,2-pentafluoro-3-methylpentane
PubChem CID59502999
Molecular FormulaC8H13F5O
Molecular Weight220.18 g/mol
Exact Mass220.09
IUPAC Name3-ethoxy-1,1,1,2,2-pentafluoro-3-methylpentane
SMILESCCOC(C)(CC)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H13F5O/c1-4-6(3,14-5-2)7(9,10)8(11,12)13/h4-5H2,1-3H3
InChIKeyBKFICGBOBPCOCE-UHFFFAOYSA-N
XLogP3.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.18
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-ethoxy-1,1,1,2,2-pentafluoro-3-methylpentane 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

1,1,1,3,3,3-Hexafluoro-2-methyl-2-propoxypropane
CID 138604548
1-Fluoro-2-methyl-2-(2,2,2-trifluoroethoxy)pentane
CID 10584237
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
1,1,1,2,2,3,3,5,5,5-Decafluoro-4-methyl-4-(2-methylpropoxy)pentane
CID 19761932
1,1,1,2,3,4,5,5,5-Nonafluoro-2,4-dimethyl-3-(2-methylpropoxy)pentane
CID 19761939
1,1,1,2,2,3,3,5,5,5-Decafluoro-4-methyl-4-(3-methylbutoxy)pentane
CID 19761941
1,1,1,2,2,3,4,5,5,5-Decafluoro-4-methyl-3-(2-methylpropoxy)pentane
CID 19761952
3-Butan-2-yloxy-1,1,1,2,2,3,4,5,5,5-decafluoro-4-methylpentane
CID 19761959

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1,1,1,2,2-pentafluoro-3-methylpentane?
The IUPAC name of 3-ethoxy-1,1,1,2,2-pentafluoro-3-methylpentane (CID 59502999) is 3-ethoxy-1,1,1,2,2-pentafluoro-3-methylpentane.
What is the SMILES notation for 3-ethoxy-1,1,1,2,2-pentafluoro-3-methylpentane?
The canonical SMILES for 3-ethoxy-1,1,1,2,2-pentafluoro-3-methylpentane is CCOC(C)(CC)C(F)(F)C(F)(F)F.
What is the InChIKey of 3-ethoxy-1,1,1,2,2-pentafluoro-3-methylpentane?
The InChIKey is BKFICGBOBPCOCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F5O/c1-4-6(3,14-5-2)7(9,10)8(11,12)13/h4-5H2,1-3H3.
What are the key properties of 3-ethoxy-1,1,1,2,2-pentafluoro-3-methylpentane?
3-ethoxy-1,1,1,2,2-pentafluoro-3-methylpentane has a molecular weight of 220.18 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1,1,1,2,2-pentafluoro-3-methylpentane is sourced from PubChem (CID 59502999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).