5-methyl-2-propan-2-yl-3-(3,3,3-trifluoropropoxy)thiophene

C11H15F3OS — CID 137413357

IUPAC5-methyl-2-propan-2-yl-3-(3,3,3-trifluoropropoxy)thiophene
SMILESCc1cc(OCCC(F)(F)F)c(C(C)C)s1
InChIInChI=1S/C11H15F3OS/c1-7(2)10-9(6-8(3)16-10)15-5-4-11(12,13)14/h6-7H,4-5H2,1-3H3
InChIKeyQYARHYXYKGGVDQ-UHFFFAOYSA-N
MW252.30 g/mol
LogP4.51
Rot. Bonds4

About 5-methyl-2-propan-2-yl-3-(3,3,3-trifluoropropoxy)thiophene

5-methyl-2-propan-2-yl-3-(3,3,3-trifluoropropoxy)thiophene (PubChem CID 137413357) has the molecular formula C11H15F3OS and a molecular weight of 252.30 g/mol. Its IUPAC name is 5-methyl-2-propan-2-yl-3-(3,3,3-trifluoropropoxy)thiophene.

Molecular Properties

Compound Name5-methyl-2-propan-2-yl-3-(3,3,3-trifluoropropoxy)thiophene
PubChem CID137413357
Molecular FormulaC11H15F3OS
Molecular Weight252.30 g/mol
Exact Mass252.08
IUPAC Name5-methyl-2-propan-2-yl-3-(3,3,3-trifluoropropoxy)thiophene
SMILESCc1cc(OCCC(F)(F)F)c(C(C)C)s1
InChIInChI=1S/C11H15F3OS/c1-7(2)10-9(6-8(3)16-10)15-5-4-11(12,13)14/h6-7H,4-5H2,1-3H3
InChIKeyQYARHYXYKGGVDQ-UHFFFAOYSA-N
XLogP4.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-propan-2-yl-3-(3,3,3-trifluoropropoxy)thiophene?
The IUPAC name of 5-methyl-2-propan-2-yl-3-(3,3,3-trifluoropropoxy)thiophene (CID 137413357) is 5-methyl-2-propan-2-yl-3-(3,3,3-trifluoropropoxy)thiophene.
What is the SMILES notation for 5-methyl-2-propan-2-yl-3-(3,3,3-trifluoropropoxy)thiophene?
The canonical SMILES for 5-methyl-2-propan-2-yl-3-(3,3,3-trifluoropropoxy)thiophene is Cc1cc(OCCC(F)(F)F)c(C(C)C)s1.
What is the InChIKey of 5-methyl-2-propan-2-yl-3-(3,3,3-trifluoropropoxy)thiophene?
The InChIKey is QYARHYXYKGGVDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3OS/c1-7(2)10-9(6-8(3)16-10)15-5-4-11(12,13)14/h6-7H,4-5H2,1-3H3.
What are the key properties of 5-methyl-2-propan-2-yl-3-(3,3,3-trifluoropropoxy)thiophene?
5-methyl-2-propan-2-yl-3-(3,3,3-trifluoropropoxy)thiophene has a molecular weight of 252.30 g/mol, XLogP of 4.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-propan-2-yl-3-(3,3,3-trifluoropropoxy)thiophene is sourced from PubChem (CID 137413357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).