5-tert-butyl-2-propan-2-yl-3-(2,2,2-trifluoroethoxy)thiophene

C13H19F3OS — CID 162618921

IUPAC5-tert-butyl-2-propan-2-yl-3-(2,2,2-trifluoroethoxy)thiophene
SMILESCC(C)c1sc(C(C)(C)C)cc1OCC(F)(F)F
InChIInChI=1S/C13H19F3OS/c1-8(2)11-9(17-7-13(14,15)16)6-10(18-11)12(3,4)5/h6,8H,7H2,1-5H3
InChIKeySRBIRLWQOBPJPW-UHFFFAOYSA-N
MW280.36 g/mol
LogP5.11
Rot. Bonds3

About 5-tert-butyl-2-propan-2-yl-3-(2,2,2-trifluoroethoxy)thiophene

5-tert-butyl-2-propan-2-yl-3-(2,2,2-trifluoroethoxy)thiophene (PubChem CID 162618921) has the molecular formula C13H19F3OS and a molecular weight of 280.36 g/mol. Its IUPAC name is 5-tert-butyl-2-propan-2-yl-3-(2,2,2-trifluoroethoxy)thiophene.

Molecular Properties

Compound Name5-tert-butyl-2-propan-2-yl-3-(2,2,2-trifluoroethoxy)thiophene
PubChem CID162618921
Molecular FormulaC13H19F3OS
Molecular Weight280.36 g/mol
Exact Mass280.11
IUPAC Name5-tert-butyl-2-propan-2-yl-3-(2,2,2-trifluoroethoxy)thiophene
SMILESCC(C)c1sc(C(C)(C)C)cc1OCC(F)(F)F
InChIInChI=1S/C13H19F3OS/c1-8(2)11-9(17-7-13(14,15)16)6-10(18-11)12(3,4)5/h6,8H,7H2,1-5H3
InChIKeySRBIRLWQOBPJPW-UHFFFAOYSA-N
XLogP5.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.36
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5,5-Dimethyl-2-(1,1,2,2,2-pentafluoroethyl)thieno[3,2-b]pyran
CID 18323981
2-Propan-2-yl-5-(2,2,2-trifluoroethoxy)thiophene
CID 117932979
2,5-Dimethyl-3-(3,3,3-trifluoropropoxy)thiophene
CID 130182357
2,5-Ditert-butyl-3-(2,2,2-trifluoroethoxy)thiophene
CID 130269106
3-Methoxy-2-propan-2-yl-5-(trifluoromethyl)thiophene
CID 130377716
2-Heptyl-3-methoxy-5-(trifluoromethyl)thiophene
CID 130384485
5-Methyl-2-propan-2-yl-3-(3,3,3-trifluoropropoxy)thiophene
CID 137413357
2,5-Bis(2-methylbutan-2-yl)-3-(2,2,2-trifluoroethoxy)thiophene
CID 137436504
2-Propan-2-yl-4-(trifluoromethoxy)thiophene
CID 144946131
5-Tert-butyl-2-fluoro-3-methoxythiophene
CID 146378132
2-Fluoro-3-methoxy-5-(6-methyldodecan-6-yl)thiophene
CID 146378150
5-Fluoro-3-methoxy-2-(2-methylhexan-2-yl)thiophene
CID 146378272

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-propan-2-yl-3-(2,2,2-trifluoroethoxy)thiophene?
The IUPAC name of 5-tert-butyl-2-propan-2-yl-3-(2,2,2-trifluoroethoxy)thiophene (CID 162618921) is 5-tert-butyl-2-propan-2-yl-3-(2,2,2-trifluoroethoxy)thiophene.
What is the SMILES notation for 5-tert-butyl-2-propan-2-yl-3-(2,2,2-trifluoroethoxy)thiophene?
The canonical SMILES for 5-tert-butyl-2-propan-2-yl-3-(2,2,2-trifluoroethoxy)thiophene is CC(C)c1sc(C(C)(C)C)cc1OCC(F)(F)F.
What is the InChIKey of 5-tert-butyl-2-propan-2-yl-3-(2,2,2-trifluoroethoxy)thiophene?
The InChIKey is SRBIRLWQOBPJPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3OS/c1-8(2)11-9(17-7-13(14,15)16)6-10(18-11)12(3,4)5/h6,8H,7H2,1-5H3.
What are the key properties of 5-tert-butyl-2-propan-2-yl-3-(2,2,2-trifluoroethoxy)thiophene?
5-tert-butyl-2-propan-2-yl-3-(2,2,2-trifluoroethoxy)thiophene has a molecular weight of 280.36 g/mol, XLogP of 5.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-propan-2-yl-3-(2,2,2-trifluoroethoxy)thiophene is sourced from PubChem (CID 162618921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).