3-methoxy-4-propyl-2-(trifluoromethyl)thiophene

C9H11F3OS — CID 91108074

IUPAC3-methoxy-4-propyl-2-(trifluoromethyl)thiophene
SMILESCCCc1csc(C(F)(F)F)c1OC
InChIInChI=1S/C9H11F3OS/c1-3-4-6-5-14-8(7(6)13-2)9(10,11)12/h5H,3-4H2,1-2H3
InChIKeyPBGPPQFTNRCBLX-UHFFFAOYSA-N
MW224.25 g/mol
LogP3.73
Rot. Bonds3

About 3-methoxy-4-propyl-2-(trifluoromethyl)thiophene

3-methoxy-4-propyl-2-(trifluoromethyl)thiophene (PubChem CID 91108074) has the molecular formula C9H11F3OS and a molecular weight of 224.25 g/mol. Its IUPAC name is 3-methoxy-4-propyl-2-(trifluoromethyl)thiophene.

Molecular Properties

Compound Name3-methoxy-4-propyl-2-(trifluoromethyl)thiophene
PubChem CID91108074
Molecular FormulaC9H11F3OS
Molecular Weight224.25 g/mol
Exact Mass224.05
IUPAC Name3-methoxy-4-propyl-2-(trifluoromethyl)thiophene
SMILESCCCc1csc(C(F)(F)F)c1OC
InChIInChI=1S/C9H11F3OS/c1-3-4-6-5-14-8(7(6)13-2)9(10,11)12/h5H,3-4H2,1-2H3
InChIKeyPBGPPQFTNRCBLX-UHFFFAOYSA-N
XLogP3.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.25
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-propyl-2-(trifluoromethyl)thiophene?
The IUPAC name of 3-methoxy-4-propyl-2-(trifluoromethyl)thiophene (CID 91108074) is 3-methoxy-4-propyl-2-(trifluoromethyl)thiophene.
What is the SMILES notation for 3-methoxy-4-propyl-2-(trifluoromethyl)thiophene?
The canonical SMILES for 3-methoxy-4-propyl-2-(trifluoromethyl)thiophene is CCCc1csc(C(F)(F)F)c1OC.
What is the InChIKey of 3-methoxy-4-propyl-2-(trifluoromethyl)thiophene?
The InChIKey is PBGPPQFTNRCBLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3OS/c1-3-4-6-5-14-8(7(6)13-2)9(10,11)12/h5H,3-4H2,1-2H3.
What are the key properties of 3-methoxy-4-propyl-2-(trifluoromethyl)thiophene?
3-methoxy-4-propyl-2-(trifluoromethyl)thiophene has a molecular weight of 224.25 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-propyl-2-(trifluoromethyl)thiophene is sourced from PubChem (CID 91108074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).