2-fluoro-3-methyl-3-[(2R)-1,1,2,3-tetrafluoro-3-methyl-2-(trifluoromethyl)butoxy]-2-(trifluoromethyl)pentan-1-ol

C13H17F11O2 — CID 88869338

IUPAC2-fluoro-3-methyl-3-[(2R)-1,1,2,3-tetrafluoro-3-methyl-2-(trifluoromethyl)butoxy]-2-(trifluoromethyl)pentan-1-ol
SMILESCCC(C)(OC(F)(F)[C@](F)(C(C)(C)F)C(F)(F)F)C(F)(CO)C(F)(F)F
InChIInChI=1S/C13H17F11O2/c1-5-8(4,9(15,6-25)11(17,18)19)26-13(23,24)10(16,7(2,3)14)12(20,21)22/h25H,5-6H2,1-4H3/t8?,9?,10-/m0/s1
InChIKeyPUAMWMBZBMOZQH-RTBKNWGFSA-N
MW414.26 g/mol
LogP5.05
Rot. Bonds7

About 2-fluoro-3-methyl-3-[(2R)-1,1,2,3-tetrafluoro-3-methyl-2-(trifluoromethyl)butoxy]-2-(trifluoromethyl)pentan-1-ol

2-fluoro-3-methyl-3-[(2R)-1,1,2,3-tetrafluoro-3-methyl-2-(trifluoromethyl)butoxy]-2-(trifluoromethyl)pentan-1-ol (PubChem CID 88869338) has the molecular formula C13H17F11O2 and a molecular weight of 414.26 g/mol. Its IUPAC name is 2-fluoro-3-methyl-3-[(2R)-1,1,2,3-tetrafluoro-3-methyl-2-(trifluoromethyl)butoxy]-2-(trifluoromethyl)pentan-1-ol.

Molecular Properties

Compound Name2-fluoro-3-methyl-3-[(2R)-1,1,2,3-tetrafluoro-3-methyl-2-(trifluoromethyl)butoxy]-2-(trifluoromethyl)pentan-1-ol
PubChem CID88869338
Molecular FormulaC13H17F11O2
Molecular Weight414.26 g/mol
Exact Mass414.11
IUPAC Name2-fluoro-3-methyl-3-[(2R)-1,1,2,3-tetrafluoro-3-methyl-2-(trifluoromethyl)butoxy]-2-(trifluoromethyl)pentan-1-ol
SMILESCCC(C)(OC(F)(F)[C@](F)(C(C)(C)F)C(F)(F)F)C(F)(CO)C(F)(F)F
InChIInChI=1S/C13H17F11O2/c1-5-8(4,9(15,6-25)11(17,18)19)26-13(23,24)10(16,7(2,3)14)12(20,21)22/h25H,5-6H2,1-4H3/t8?,9?,10-/m0/s1
InChIKeyPUAMWMBZBMOZQH-RTBKNWGFSA-N
XLogP5.05
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.26
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-methyl-3-[(2R)-1,1,2,3-tetrafluoro-3-methyl-2-(trifluoromethyl)butoxy]-2-(trifluoromethyl)pentan-1-ol?
The IUPAC name of 2-fluoro-3-methyl-3-[(2R)-1,1,2,3-tetrafluoro-3-methyl-2-(trifluoromethyl)butoxy]-2-(trifluoromethyl)pentan-1-ol (CID 88869338) is 2-fluoro-3-methyl-3-[(2R)-1,1,2,3-tetrafluoro-3-methyl-2-(trifluoromethyl)butoxy]-2-(trifluoromethyl)pentan-1-ol.
What is the SMILES notation for 2-fluoro-3-methyl-3-[(2R)-1,1,2,3-tetrafluoro-3-methyl-2-(trifluoromethyl)butoxy]-2-(trifluoromethyl)pentan-1-ol?
The canonical SMILES for 2-fluoro-3-methyl-3-[(2R)-1,1,2,3-tetrafluoro-3-methyl-2-(trifluoromethyl)butoxy]-2-(trifluoromethyl)pentan-1-ol is CCC(C)(OC(F)(F)[C@](F)(C(C)(C)F)C(F)(F)F)C(F)(CO)C(F)(F)F.
What is the InChIKey of 2-fluoro-3-methyl-3-[(2R)-1,1,2,3-tetrafluoro-3-methyl-2-(trifluoromethyl)butoxy]-2-(trifluoromethyl)pentan-1-ol?
The InChIKey is PUAMWMBZBMOZQH-RTBKNWGFSA-N. The full InChI is InChI=1S/C13H17F11O2/c1-5-8(4,9(15,6-25)11(17,18)19)26-13(23,24)10(16,7(2,3)14)12(20,21)22/h25H,5-6H2,1-4H3/t8?,9?,10-/m0/s1.
What are the key properties of 2-fluoro-3-methyl-3-[(2R)-1,1,2,3-tetrafluoro-3-methyl-2-(trifluoromethyl)butoxy]-2-(trifluoromethyl)pentan-1-ol?
2-fluoro-3-methyl-3-[(2R)-1,1,2,3-tetrafluoro-3-methyl-2-(trifluoromethyl)butoxy]-2-(trifluoromethyl)pentan-1-ol has a molecular weight of 414.26 g/mol, XLogP of 5.05, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-methyl-3-[(2R)-1,1,2,3-tetrafluoro-3-methyl-2-(trifluoromethyl)butoxy]-2-(trifluoromethyl)pentan-1-ol is sourced from PubChem (CID 88869338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).