2,4-difluoro-2-methyl-3-(4,4,4-trifluorobutoxy)pentane

C10H17F5O — CID 88988086

IUPAC2,4-difluoro-2-methyl-3-(4,4,4-trifluorobutoxy)pentane
SMILESCC(F)C(OCCCC(F)(F)F)C(C)(C)F
InChIInChI=1S/C10H17F5O/c1-7(11)8(9(2,3)12)16-6-4-5-10(13,14)15/h7-8H,4-6H2,1-3H3
InChIKeyIYELLXWWOZEPCF-UHFFFAOYSA-N
MW248.23 g/mol
LogP3.82
Rot. Bonds6

About 2,4-difluoro-2-methyl-3-(4,4,4-trifluorobutoxy)pentane

2,4-difluoro-2-methyl-3-(4,4,4-trifluorobutoxy)pentane (PubChem CID 88988086) has the molecular formula C10H17F5O and a molecular weight of 248.23 g/mol. Its IUPAC name is 2,4-difluoro-2-methyl-3-(4,4,4-trifluorobutoxy)pentane.

Molecular Properties

Compound Name2,4-difluoro-2-methyl-3-(4,4,4-trifluorobutoxy)pentane
PubChem CID88988086
Molecular FormulaC10H17F5O
Molecular Weight248.23 g/mol
Exact Mass248.12
IUPAC Name2,4-difluoro-2-methyl-3-(4,4,4-trifluorobutoxy)pentane
SMILESCC(F)C(OCCCC(F)(F)F)C(C)(C)F
InChIInChI=1S/C10H17F5O/c1-7(11)8(9(2,3)12)16-6-4-5-10(13,14)15/h7-8H,4-6H2,1-3H3
InChIKeyIYELLXWWOZEPCF-UHFFFAOYSA-N
XLogP3.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.23
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-2-methyl-3-(4,4,4-trifluorobutoxy)pentane?
The IUPAC name of 2,4-difluoro-2-methyl-3-(4,4,4-trifluorobutoxy)pentane (CID 88988086) is 2,4-difluoro-2-methyl-3-(4,4,4-trifluorobutoxy)pentane.
What is the SMILES notation for 2,4-difluoro-2-methyl-3-(4,4,4-trifluorobutoxy)pentane?
The canonical SMILES for 2,4-difluoro-2-methyl-3-(4,4,4-trifluorobutoxy)pentane is CC(F)C(OCCCC(F)(F)F)C(C)(C)F.
What is the InChIKey of 2,4-difluoro-2-methyl-3-(4,4,4-trifluorobutoxy)pentane?
The InChIKey is IYELLXWWOZEPCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F5O/c1-7(11)8(9(2,3)12)16-6-4-5-10(13,14)15/h7-8H,4-6H2,1-3H3.
What are the key properties of 2,4-difluoro-2-methyl-3-(4,4,4-trifluorobutoxy)pentane?
2,4-difluoro-2-methyl-3-(4,4,4-trifluorobutoxy)pentane has a molecular weight of 248.23 g/mol, XLogP of 3.82, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-2-methyl-3-(4,4,4-trifluorobutoxy)pentane is sourced from PubChem (CID 88988086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).