2-[(2R)-5,5,5-trifluoro-2,4-dimethoxypentan-2-yl]thiophene

C11H15F3O2S — CID 162611922

IUPAC2-[(2R)-5,5,5-trifluoro-2,4-dimethoxypentan-2-yl]thiophene
SMILESCOC(C[C@@](C)(OC)c1cccs1)C(F)(F)F
InChIInChI=1S/C11H15F3O2S/c1-10(16-3,9-5-4-6-17-9)7-8(15-2)11(12,13)14/h4-6,8H,7H2,1-3H3/t8?,10-/m1/s1
InChIKeyOWOURJGHEQSOEV-LHIURRSHSA-N
MW268.30 g/mol
LogP3.58
Rot. Bonds5

About 2-[(2R)-5,5,5-trifluoro-2,4-dimethoxypentan-2-yl]thiophene

2-[(2R)-5,5,5-trifluoro-2,4-dimethoxypentan-2-yl]thiophene (PubChem CID 162611922) has the molecular formula C11H15F3O2S and a molecular weight of 268.30 g/mol. Its IUPAC name is 2-[(2R)-5,5,5-trifluoro-2,4-dimethoxypentan-2-yl]thiophene.

Molecular Properties

Compound Name2-[(2R)-5,5,5-trifluoro-2,4-dimethoxypentan-2-yl]thiophene
PubChem CID162611922
Molecular FormulaC11H15F3O2S
Molecular Weight268.30 g/mol
Exact Mass268.07
IUPAC Name2-[(2R)-5,5,5-trifluoro-2,4-dimethoxypentan-2-yl]thiophene
SMILESCOC(C[C@@](C)(OC)c1cccs1)C(F)(F)F
InChIInChI=1S/C11H15F3O2S/c1-10(16-3,9-5-4-6-17-9)7-8(15-2)11(12,13)14/h4-6,8H,7H2,1-3H3/t8?,10-/m1/s1
InChIKeyOWOURJGHEQSOEV-LHIURRSHSA-N
XLogP3.58
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.30
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-5,5,5-trifluoro-2,4-dimethoxypentan-2-yl]thiophene?
The IUPAC name of 2-[(2R)-5,5,5-trifluoro-2,4-dimethoxypentan-2-yl]thiophene (CID 162611922) is 2-[(2R)-5,5,5-trifluoro-2,4-dimethoxypentan-2-yl]thiophene.
What is the SMILES notation for 2-[(2R)-5,5,5-trifluoro-2,4-dimethoxypentan-2-yl]thiophene?
The canonical SMILES for 2-[(2R)-5,5,5-trifluoro-2,4-dimethoxypentan-2-yl]thiophene is COC(C[C@@](C)(OC)c1cccs1)C(F)(F)F.
What is the InChIKey of 2-[(2R)-5,5,5-trifluoro-2,4-dimethoxypentan-2-yl]thiophene?
The InChIKey is OWOURJGHEQSOEV-LHIURRSHSA-N. The full InChI is InChI=1S/C11H15F3O2S/c1-10(16-3,9-5-4-6-17-9)7-8(15-2)11(12,13)14/h4-6,8H,7H2,1-3H3/t8?,10-/m1/s1.
What are the key properties of 2-[(2R)-5,5,5-trifluoro-2,4-dimethoxypentan-2-yl]thiophene?
2-[(2R)-5,5,5-trifluoro-2,4-dimethoxypentan-2-yl]thiophene has a molecular weight of 268.30 g/mol, XLogP of 3.58, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-5,5,5-trifluoro-2,4-dimethoxypentan-2-yl]thiophene is sourced from PubChem (CID 162611922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).