1,1,1,2-tetrafluoro-2,3-dimethyl-3-[1,1,2,3-tetrafluoro-3-methyl-2-(trifluoromethyl)butoxy]hexane

C14H19F11O — CID 89196289

IUPAC1,1,1,2-tetrafluoro-2,3-dimethyl-3-[1,1,2,3-tetrafluoro-3-methyl-2-(trifluoromethyl)butoxy]hexane
SMILESCCCC(C)(OC(F)(F)C(F)(C(C)(C)F)C(F)(F)F)C(C)(F)C(F)(F)F
InChIInChI=1S/C14H19F11O/c1-6-7-9(4,10(5,16)12(18,19)20)26-14(24,25)11(17,8(2,3)15)13(21,22)23/h6-7H2,1-5H3
InChIKeyANRVXHVUANWHNB-UHFFFAOYSA-N
MW412.28 g/mol
LogP6.46
Rot. Bonds7

About 1,1,1,2-tetrafluoro-2,3-dimethyl-3-[1,1,2,3-tetrafluoro-3-methyl-2-(trifluoromethyl)butoxy]hexane

1,1,1,2-tetrafluoro-2,3-dimethyl-3-[1,1,2,3-tetrafluoro-3-methyl-2-(trifluoromethyl)butoxy]hexane (PubChem CID 89196289) has the molecular formula C14H19F11O and a molecular weight of 412.28 g/mol. Its IUPAC name is 1,1,1,2-tetrafluoro-2,3-dimethyl-3-[1,1,2,3-tetrafluoro-3-methyl-2-(trifluoromethyl)butoxy]hexane.

Molecular Properties

Compound Name1,1,1,2-tetrafluoro-2,3-dimethyl-3-[1,1,2,3-tetrafluoro-3-methyl-2-(trifluoromethyl)butoxy]hexane
PubChem CID89196289
Molecular FormulaC14H19F11O
Molecular Weight412.28 g/mol
Exact Mass412.13
IUPAC Name1,1,1,2-tetrafluoro-2,3-dimethyl-3-[1,1,2,3-tetrafluoro-3-methyl-2-(trifluoromethyl)butoxy]hexane
SMILESCCCC(C)(OC(F)(F)C(F)(C(C)(C)F)C(F)(F)F)C(C)(F)C(F)(F)F
InChIInChI=1S/C14H19F11O/c1-6-7-9(4,10(5,16)12(18,19)20)26-14(24,25)11(17,8(2,3)15)13(21,22)23/h6-7H2,1-5H3
InChIKeyANRVXHVUANWHNB-UHFFFAOYSA-N
XLogP6.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.28
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,2-tetrafluoro-2,3-dimethyl-3-[1,1,2,3-tetrafluoro-3-methyl-2-(trifluoromethyl)butoxy]hexane?
The IUPAC name of 1,1,1,2-tetrafluoro-2,3-dimethyl-3-[1,1,2,3-tetrafluoro-3-methyl-2-(trifluoromethyl)butoxy]hexane (CID 89196289) is 1,1,1,2-tetrafluoro-2,3-dimethyl-3-[1,1,2,3-tetrafluoro-3-methyl-2-(trifluoromethyl)butoxy]hexane.
What is the SMILES notation for 1,1,1,2-tetrafluoro-2,3-dimethyl-3-[1,1,2,3-tetrafluoro-3-methyl-2-(trifluoromethyl)butoxy]hexane?
The canonical SMILES for 1,1,1,2-tetrafluoro-2,3-dimethyl-3-[1,1,2,3-tetrafluoro-3-methyl-2-(trifluoromethyl)butoxy]hexane is CCCC(C)(OC(F)(F)C(F)(C(C)(C)F)C(F)(F)F)C(C)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2-tetrafluoro-2,3-dimethyl-3-[1,1,2,3-tetrafluoro-3-methyl-2-(trifluoromethyl)butoxy]hexane?
The InChIKey is ANRVXHVUANWHNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F11O/c1-6-7-9(4,10(5,16)12(18,19)20)26-14(24,25)11(17,8(2,3)15)13(21,22)23/h6-7H2,1-5H3.
What are the key properties of 1,1,1,2-tetrafluoro-2,3-dimethyl-3-[1,1,2,3-tetrafluoro-3-methyl-2-(trifluoromethyl)butoxy]hexane?
1,1,1,2-tetrafluoro-2,3-dimethyl-3-[1,1,2,3-tetrafluoro-3-methyl-2-(trifluoromethyl)butoxy]hexane has a molecular weight of 412.28 g/mol, XLogP of 6.46, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2-tetrafluoro-2,3-dimethyl-3-[1,1,2,3-tetrafluoro-3-methyl-2-(trifluoromethyl)butoxy]hexane is sourced from PubChem (CID 89196289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).