1,1,1,3-tetrafluoro-2-methyl-6-(2,2,2-trifluoroethoxy)-4-(trifluoromethyl)hexane

C10H12F10O — CID 59847511

IUPAC1,1,1,3-tetrafluoro-2-methyl-6-(2,2,2-trifluoroethoxy)-4-(trifluoromethyl)hexane
SMILESCC(C(F)C(CCOCC(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H12F10O/c1-5(9(15,16)17)7(11)6(10(18,19)20)2-3-21-4-8(12,13)14/h5-7H,2-4H2,1H3
InChIKeyYVIKBOSVOVWUJR-UHFFFAOYSA-N
MW338.19 g/mol
LogP4.67
Rot. Bonds6

About 1,1,1,3-tetrafluoro-2-methyl-6-(2,2,2-trifluoroethoxy)-4-(trifluoromethyl)hexane

1,1,1,3-tetrafluoro-2-methyl-6-(2,2,2-trifluoroethoxy)-4-(trifluoromethyl)hexane (PubChem CID 59847511) has the molecular formula C10H12F10O and a molecular weight of 338.19 g/mol. Its IUPAC name is 1,1,1,3-tetrafluoro-2-methyl-6-(2,2,2-trifluoroethoxy)-4-(trifluoromethyl)hexane.

Molecular Properties

Compound Name1,1,1,3-tetrafluoro-2-methyl-6-(2,2,2-trifluoroethoxy)-4-(trifluoromethyl)hexane
PubChem CID59847511
Molecular FormulaC10H12F10O
Molecular Weight338.19 g/mol
Exact Mass338.07
IUPAC Name1,1,1,3-tetrafluoro-2-methyl-6-(2,2,2-trifluoroethoxy)-4-(trifluoromethyl)hexane
SMILESCC(C(F)C(CCOCC(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H12F10O/c1-5(9(15,16)17)7(11)6(10(18,19)20)2-3-21-4-8(12,13)14/h5-7H,2-4H2,1H3
InChIKeyYVIKBOSVOVWUJR-UHFFFAOYSA-N
XLogP4.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.19
LogP ≤ 54.67
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 1,1,1,3-tetrafluoro-2-methyl-6-(2,2,2-trifluoroethoxy)-4-(trifluoromethyl)hexane?
The IUPAC name of 1,1,1,3-tetrafluoro-2-methyl-6-(2,2,2-trifluoroethoxy)-4-(trifluoromethyl)hexane (CID 59847511) is 1,1,1,3-tetrafluoro-2-methyl-6-(2,2,2-trifluoroethoxy)-4-(trifluoromethyl)hexane.
What is the SMILES notation for 1,1,1,3-tetrafluoro-2-methyl-6-(2,2,2-trifluoroethoxy)-4-(trifluoromethyl)hexane?
The canonical SMILES for 1,1,1,3-tetrafluoro-2-methyl-6-(2,2,2-trifluoroethoxy)-4-(trifluoromethyl)hexane is CC(C(F)C(CCOCC(F)(F)F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3-tetrafluoro-2-methyl-6-(2,2,2-trifluoroethoxy)-4-(trifluoromethyl)hexane?
The InChIKey is YVIKBOSVOVWUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F10O/c1-5(9(15,16)17)7(11)6(10(18,19)20)2-3-21-4-8(12,13)14/h5-7H,2-4H2,1H3.
What are the key properties of 1,1,1,3-tetrafluoro-2-methyl-6-(2,2,2-trifluoroethoxy)-4-(trifluoromethyl)hexane?
1,1,1,3-tetrafluoro-2-methyl-6-(2,2,2-trifluoroethoxy)-4-(trifluoromethyl)hexane has a molecular weight of 338.19 g/mol, XLogP of 4.67, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3-tetrafluoro-2-methyl-6-(2,2,2-trifluoroethoxy)-4-(trifluoromethyl)hexane is sourced from PubChem (CID 59847511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).