4-methyl-2-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]thiophene

C9H7F7S — CID 166969141

IUPAC4-methyl-2-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]thiophene
SMILESCc1csc(CC(F)(C(F)(F)F)C(F)(F)F)c1
InChIInChI=1S/C9H7F7S/c1-5-2-6(17-4-5)3-7(10,8(11,12)13)9(14,15)16/h2,4H,3H2,1H3
InChIKeyDQZGVGXETMKNRF-UHFFFAOYSA-N
MW280.21 g/mol
LogP4.43
Rot. Bonds2

About 4-methyl-2-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]thiophene

4-methyl-2-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]thiophene (PubChem CID 166969141) has the molecular formula C9H7F7S and a molecular weight of 280.21 g/mol. Its IUPAC name is 4-methyl-2-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]thiophene.

Molecular Properties

Compound Name4-methyl-2-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]thiophene
PubChem CID166969141
Molecular FormulaC9H7F7S
Molecular Weight280.21 g/mol
Exact Mass280.02
IUPAC Name4-methyl-2-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]thiophene
SMILESCc1csc(CC(F)(C(F)(F)F)C(F)(F)F)c1
InChIInChI=1S/C9H7F7S/c1-5-2-6(17-4-5)3-7(10,8(11,12)13)9(14,15)16/h2,4H,3H2,1H3
InChIKeyDQZGVGXETMKNRF-UHFFFAOYSA-N
XLogP4.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.21
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]thiophene?
The IUPAC name of 4-methyl-2-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]thiophene (CID 166969141) is 4-methyl-2-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]thiophene.
What is the SMILES notation for 4-methyl-2-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]thiophene?
The canonical SMILES for 4-methyl-2-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]thiophene is Cc1csc(CC(F)(C(F)(F)F)C(F)(F)F)c1.
What is the InChIKey of 4-methyl-2-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]thiophene?
The InChIKey is DQZGVGXETMKNRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F7S/c1-5-2-6(17-4-5)3-7(10,8(11,12)13)9(14,15)16/h2,4H,3H2,1H3.
What are the key properties of 4-methyl-2-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]thiophene?
4-methyl-2-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]thiophene has a molecular weight of 280.21 g/mol, XLogP of 4.43, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]thiophene is sourced from PubChem (CID 166969141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).