2-fluoro-3-methyl-2-(trifluoromethyl)-3-[1,1,2-trifluoro-3-methyl-2-(trifluoromethyl)-3-(1,1,2-trifluoro-2-methylbutoxy)butoxy]butan-1-ol

C17H23F13O3 — CID 89145258

IUPAC2-fluoro-3-methyl-2-(trifluoromethyl)-3-[1,1,2-trifluoro-3-methyl-2-(trifluoromethyl)-3-(1,1,2-trifluoro-2-methylbutoxy)butoxy]butan-1-ol
SMILESCCC(C)(F)C(F)(F)OC(C)(C)C(F)(C(F)(F)F)C(F)(F)OC(C)(C)C(F)(CO)C(F)(F)F
InChIInChI=1S/C17H23F13O3/c1-7-11(6,18)16(27,28)33-10(4,5)13(20,15(24,25)26)17(29,30)32-9(2,3)12(19,8-31)14(21,22)23/h31H,7-8H2,1-6H3
InChIKeyOXNFQVDAMGWSTN-UHFFFAOYSA-N
MW522.34 g/mol
LogP6.43
Rot. Bonds10

About 2-fluoro-3-methyl-2-(trifluoromethyl)-3-[1,1,2-trifluoro-3-methyl-2-(trifluoromethyl)-3-(1,1,2-trifluoro-2-methylbutoxy)butoxy]butan-1-ol

2-fluoro-3-methyl-2-(trifluoromethyl)-3-[1,1,2-trifluoro-3-methyl-2-(trifluoromethyl)-3-(1,1,2-trifluoro-2-methylbutoxy)butoxy]butan-1-ol (PubChem CID 89145258) has the molecular formula C17H23F13O3 and a molecular weight of 522.34 g/mol. Its IUPAC name is 2-fluoro-3-methyl-2-(trifluoromethyl)-3-[1,1,2-trifluoro-3-methyl-2-(trifluoromethyl)-3-(1,1,2-trifluoro-2-methylbutoxy)butoxy]butan-1-ol.

Molecular Properties

Compound Name2-fluoro-3-methyl-2-(trifluoromethyl)-3-[1,1,2-trifluoro-3-methyl-2-(trifluoromethyl)-3-(1,1,2-trifluoro-2-methylbutoxy)butoxy]butan-1-ol
PubChem CID89145258
Molecular FormulaC17H23F13O3
Molecular Weight522.34 g/mol
Exact Mass522.14
IUPAC Name2-fluoro-3-methyl-2-(trifluoromethyl)-3-[1,1,2-trifluoro-3-methyl-2-(trifluoromethyl)-3-(1,1,2-trifluoro-2-methylbutoxy)butoxy]butan-1-ol
SMILESCCC(C)(F)C(F)(F)OC(C)(C)C(F)(C(F)(F)F)C(F)(F)OC(C)(C)C(F)(CO)C(F)(F)F
InChIInChI=1S/C17H23F13O3/c1-7-11(6,18)16(27,28)33-10(4,5)13(20,15(24,25)26)17(29,30)32-9(2,3)12(19,8-31)14(21,22)23/h31H,7-8H2,1-6H3
InChIKeyOXNFQVDAMGWSTN-UHFFFAOYSA-N
XLogP6.43
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.34
LogP ≤ 56.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-fluoro-3-methyl-2-(trifluoromethyl)-3-[1,1,2-trifluoro-3-methyl-2-(trifluoromethyl)-3-(1,1,2-trifluoro-2-methylbutoxy)butoxy]butan-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-methyl-2-(trifluoromethyl)-3-[1,1,2-trifluoro-3-methyl-2-(trifluoromethyl)-3-(1,1,2-trifluoro-2-methylbutoxy)butoxy]butan-1-ol?
The IUPAC name of 2-fluoro-3-methyl-2-(trifluoromethyl)-3-[1,1,2-trifluoro-3-methyl-2-(trifluoromethyl)-3-(1,1,2-trifluoro-2-methylbutoxy)butoxy]butan-1-ol (CID 89145258) is 2-fluoro-3-methyl-2-(trifluoromethyl)-3-[1,1,2-trifluoro-3-methyl-2-(trifluoromethyl)-3-(1,1,2-trifluoro-2-methylbutoxy)butoxy]butan-1-ol.
What is the SMILES notation for 2-fluoro-3-methyl-2-(trifluoromethyl)-3-[1,1,2-trifluoro-3-methyl-2-(trifluoromethyl)-3-(1,1,2-trifluoro-2-methylbutoxy)butoxy]butan-1-ol?
The canonical SMILES for 2-fluoro-3-methyl-2-(trifluoromethyl)-3-[1,1,2-trifluoro-3-methyl-2-(trifluoromethyl)-3-(1,1,2-trifluoro-2-methylbutoxy)butoxy]butan-1-ol is CCC(C)(F)C(F)(F)OC(C)(C)C(F)(C(F)(F)F)C(F)(F)OC(C)(C)C(F)(CO)C(F)(F)F.
What is the InChIKey of 2-fluoro-3-methyl-2-(trifluoromethyl)-3-[1,1,2-trifluoro-3-methyl-2-(trifluoromethyl)-3-(1,1,2-trifluoro-2-methylbutoxy)butoxy]butan-1-ol?
The InChIKey is OXNFQVDAMGWSTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F13O3/c1-7-11(6,18)16(27,28)33-10(4,5)13(20,15(24,25)26)17(29,30)32-9(2,3)12(19,8-31)14(21,22)23/h31H,7-8H2,1-6H3.
What are the key properties of 2-fluoro-3-methyl-2-(trifluoromethyl)-3-[1,1,2-trifluoro-3-methyl-2-(trifluoromethyl)-3-(1,1,2-trifluoro-2-methylbutoxy)butoxy]butan-1-ol?
2-fluoro-3-methyl-2-(trifluoromethyl)-3-[1,1,2-trifluoro-3-methyl-2-(trifluoromethyl)-3-(1,1,2-trifluoro-2-methylbutoxy)butoxy]butan-1-ol has a molecular weight of 522.34 g/mol, XLogP of 6.43, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-methyl-2-(trifluoromethyl)-3-[1,1,2-trifluoro-3-methyl-2-(trifluoromethyl)-3-(1,1,2-trifluoro-2-methylbutoxy)butoxy]butan-1-ol is sourced from PubChem (CID 89145258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).