2,5-dimethyl-3-(3,3,3-trifluoropropoxy)thiophene

C9H11F3OS — CID 130182357

IUPAC2,5-dimethyl-3-(3,3,3-trifluoropropoxy)thiophene
SMILESCc1cc(OCCC(F)(F)F)c(C)s1
InChIInChI=1S/C9H11F3OS/c1-6-5-8(7(2)14-6)13-4-3-9(10,11)12/h5H,3-4H2,1-2H3
InChIKeyHLLJAZFFXIXMFQ-UHFFFAOYSA-N
MW224.25 g/mol
LogP3.70
Rot. Bonds3

About 2,5-dimethyl-3-(3,3,3-trifluoropropoxy)thiophene

2,5-dimethyl-3-(3,3,3-trifluoropropoxy)thiophene (PubChem CID 130182357) has the molecular formula C9H11F3OS and a molecular weight of 224.25 g/mol. Its IUPAC name is 2,5-dimethyl-3-(3,3,3-trifluoropropoxy)thiophene.

Molecular Properties

Compound Name2,5-dimethyl-3-(3,3,3-trifluoropropoxy)thiophene
PubChem CID130182357
Molecular FormulaC9H11F3OS
Molecular Weight224.25 g/mol
Exact Mass224.05
IUPAC Name2,5-dimethyl-3-(3,3,3-trifluoropropoxy)thiophene
SMILESCc1cc(OCCC(F)(F)F)c(C)s1
InChIInChI=1S/C9H11F3OS/c1-6-5-8(7(2)14-6)13-4-3-9(10,11)12/h5H,3-4H2,1-2H3
InChIKeyHLLJAZFFXIXMFQ-UHFFFAOYSA-N
XLogP3.70
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 ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methyl-4-(trifluoromethoxy)thiophene
CID 68374548
5-Ethoxy-2-ethylthiophene
CID 119089845
3-(3-Methoxy-2-thienyl)propen
CID 129646589
Thiophene, 3-methoxy-2,5-dimethyl-
CID 143484
5,5-Dimethyl-2-(1,1,2,2,2-pentafluoroethyl)thieno[3,2-b]pyran
CID 18323981
2-(Difluoromethoxy)-5-methylthiophene
CID 57206762
3-(Difluoromethoxy)-2,5-dimethylthiophene
CID 58153014
2,5-Dimethyl-3-(trifluoromethoxy)thiophene
CID 58153016
4-Ethoxy-2-(trifluoromethyl)thiophene
CID 68619089
2-(3-Fluorophenoxy)-5-methylthiophene
CID 69534942
4-Methoxy-2-(trifluoromethyl)thiophene
CID 69935492
1-[5-(Trifluoromethyl)thiophen-3-yl]oxypropan-2-one
CID 70035525

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-3-(3,3,3-trifluoropropoxy)thiophene?
The IUPAC name of 2,5-dimethyl-3-(3,3,3-trifluoropropoxy)thiophene (CID 130182357) is 2,5-dimethyl-3-(3,3,3-trifluoropropoxy)thiophene.
What is the SMILES notation for 2,5-dimethyl-3-(3,3,3-trifluoropropoxy)thiophene?
The canonical SMILES for 2,5-dimethyl-3-(3,3,3-trifluoropropoxy)thiophene is Cc1cc(OCCC(F)(F)F)c(C)s1.
What is the InChIKey of 2,5-dimethyl-3-(3,3,3-trifluoropropoxy)thiophene?
The InChIKey is HLLJAZFFXIXMFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3OS/c1-6-5-8(7(2)14-6)13-4-3-9(10,11)12/h5H,3-4H2,1-2H3.
What are the key properties of 2,5-dimethyl-3-(3,3,3-trifluoropropoxy)thiophene?
2,5-dimethyl-3-(3,3,3-trifluoropropoxy)thiophene has a molecular weight of 224.25 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-3-(3,3,3-trifluoropropoxy)thiophene is sourced from PubChem (CID 130182357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).