2,2,3-trifluoro-5,5-dimethyl-4-methylidene-3-(trifluoromethyl)hexane

C10H14F6 — CID 139325233

IUPAC2,2,3-trifluoro-5,5-dimethyl-4-methylidene-3-(trifluoromethyl)hexane
SMILESC=C(C(C)(C)C)C(F)(C(C)(F)F)C(F)(F)F
InChIInChI=1S/C10H14F6/c1-6(7(2,3)4)9(13,8(5,11)12)10(14,15)16/h1H2,2-5H3
InChIKeyCQAXKCDGUFYEEG-UHFFFAOYSA-N
MW248.21 g/mol
LogP4.51
Rot. Bonds2

About 2,2,3-trifluoro-5,5-dimethyl-4-methylidene-3-(trifluoromethyl)hexane

2,2,3-trifluoro-5,5-dimethyl-4-methylidene-3-(trifluoromethyl)hexane (PubChem CID 139325233) has the molecular formula C10H14F6 and a molecular weight of 248.21 g/mol. Its IUPAC name is 2,2,3-trifluoro-5,5-dimethyl-4-methylidene-3-(trifluoromethyl)hexane.

Molecular Properties

Compound Name2,2,3-trifluoro-5,5-dimethyl-4-methylidene-3-(trifluoromethyl)hexane
PubChem CID139325233
Molecular FormulaC10H14F6
Molecular Weight248.21 g/mol
Exact Mass248.10
IUPAC Name2,2,3-trifluoro-5,5-dimethyl-4-methylidene-3-(trifluoromethyl)hexane
SMILESC=C(C(C)(C)C)C(F)(C(C)(F)F)C(F)(F)F
InChIInChI=1S/C10H14F6/c1-6(7(2,3)4)9(13,8(5,11)12)10(14,15)16/h1H2,2-5H3
InChIKeyCQAXKCDGUFYEEG-UHFFFAOYSA-N
XLogP4.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.21
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,3-trifluoro-5,5-dimethyl-4-methylidene-3-(trifluoromethyl)hexane?
The IUPAC name of 2,2,3-trifluoro-5,5-dimethyl-4-methylidene-3-(trifluoromethyl)hexane (CID 139325233) is 2,2,3-trifluoro-5,5-dimethyl-4-methylidene-3-(trifluoromethyl)hexane.
What is the SMILES notation for 2,2,3-trifluoro-5,5-dimethyl-4-methylidene-3-(trifluoromethyl)hexane?
The canonical SMILES for 2,2,3-trifluoro-5,5-dimethyl-4-methylidene-3-(trifluoromethyl)hexane is C=C(C(C)(C)C)C(F)(C(C)(F)F)C(F)(F)F.
What is the InChIKey of 2,2,3-trifluoro-5,5-dimethyl-4-methylidene-3-(trifluoromethyl)hexane?
The InChIKey is CQAXKCDGUFYEEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F6/c1-6(7(2,3)4)9(13,8(5,11)12)10(14,15)16/h1H2,2-5H3.
What are the key properties of 2,2,3-trifluoro-5,5-dimethyl-4-methylidene-3-(trifluoromethyl)hexane?
2,2,3-trifluoro-5,5-dimethyl-4-methylidene-3-(trifluoromethyl)hexane has a molecular weight of 248.21 g/mol, XLogP of 4.51, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trifluoro-5,5-dimethyl-4-methylidene-3-(trifluoromethyl)hexane is sourced from PubChem (CID 139325233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).