2,5-bis(2-methylbutan-2-yl)-3-(2,2,2-trifluoroethoxy)thiophene

C16H25F3OS — CID 137436504

IUPAC2,5-bis(2-methylbutan-2-yl)-3-(2,2,2-trifluoroethoxy)thiophene
SMILESCCC(C)(C)c1cc(OCC(F)(F)F)c(C(C)(C)CC)s1
InChIInChI=1S/C16H25F3OS/c1-7-14(3,4)12-9-11(20-10-16(17,18)19)13(21-12)15(5,6)8-2/h9H,7-8,10H2,1-6H3
InChIKeyRTGYVSHIULGFRX-UHFFFAOYSA-N
MW322.44 g/mol
LogP6.06
Rot. Bonds6

About 2,5-bis(2-methylbutan-2-yl)-3-(2,2,2-trifluoroethoxy)thiophene

2,5-bis(2-methylbutan-2-yl)-3-(2,2,2-trifluoroethoxy)thiophene (PubChem CID 137436504) has the molecular formula C16H25F3OS and a molecular weight of 322.44 g/mol. Its IUPAC name is 2,5-bis(2-methylbutan-2-yl)-3-(2,2,2-trifluoroethoxy)thiophene.

Molecular Properties

Compound Name2,5-bis(2-methylbutan-2-yl)-3-(2,2,2-trifluoroethoxy)thiophene
PubChem CID137436504
Molecular FormulaC16H25F3OS
Molecular Weight322.44 g/mol
Exact Mass322.16
IUPAC Name2,5-bis(2-methylbutan-2-yl)-3-(2,2,2-trifluoroethoxy)thiophene
SMILESCCC(C)(C)c1cc(OCC(F)(F)F)c(C(C)(C)CC)s1
InChIInChI=1S/C16H25F3OS/c1-7-14(3,4)12-9-11(20-10-16(17,18)19)13(21-12)15(5,6)8-2/h9H,7-8,10H2,1-6H3
InChIKeyRTGYVSHIULGFRX-UHFFFAOYSA-N
XLogP6.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.44
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,5-bis(2-methylbutan-2-yl)-3-(2,2,2-trifluoroethoxy)thiophene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(2-methylbutan-2-yl)-3-(2,2,2-trifluoroethoxy)thiophene?
The IUPAC name of 2,5-bis(2-methylbutan-2-yl)-3-(2,2,2-trifluoroethoxy)thiophene (CID 137436504) is 2,5-bis(2-methylbutan-2-yl)-3-(2,2,2-trifluoroethoxy)thiophene.
What is the SMILES notation for 2,5-bis(2-methylbutan-2-yl)-3-(2,2,2-trifluoroethoxy)thiophene?
The canonical SMILES for 2,5-bis(2-methylbutan-2-yl)-3-(2,2,2-trifluoroethoxy)thiophene is CCC(C)(C)c1cc(OCC(F)(F)F)c(C(C)(C)CC)s1.
What is the InChIKey of 2,5-bis(2-methylbutan-2-yl)-3-(2,2,2-trifluoroethoxy)thiophene?
The InChIKey is RTGYVSHIULGFRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25F3OS/c1-7-14(3,4)12-9-11(20-10-16(17,18)19)13(21-12)15(5,6)8-2/h9H,7-8,10H2,1-6H3.
What are the key properties of 2,5-bis(2-methylbutan-2-yl)-3-(2,2,2-trifluoroethoxy)thiophene?
2,5-bis(2-methylbutan-2-yl)-3-(2,2,2-trifluoroethoxy)thiophene has a molecular weight of 322.44 g/mol, XLogP of 6.06, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(2-methylbutan-2-yl)-3-(2,2,2-trifluoroethoxy)thiophene is sourced from PubChem (CID 137436504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).