2-methyl-5-(trifluoromethyl)-2,3-dihydrothiophene

C6H7F3S — CID 154541029

IUPAC2-methyl-5-(trifluoromethyl)-2,3-dihydrothiophene
SMILESCC1CC=C(C(F)(F)F)S1
InChIInChI=1S/C6H7F3S/c1-4-2-3-5(10-4)6(7,8)9/h3-4H,2H2,1H3
InChIKeyPTRHGOJMBWADQO-UHFFFAOYSA-N
MW168.18 g/mol
LogP2.96
Rot. Bonds

About 2-methyl-5-(trifluoromethyl)-2,3-dihydrothiophene

2-methyl-5-(trifluoromethyl)-2,3-dihydrothiophene (PubChem CID 154541029) has the molecular formula C6H7F3S and a molecular weight of 168.18 g/mol. Its IUPAC name is 2-methyl-5-(trifluoromethyl)-2,3-dihydrothiophene.

Molecular Properties

Compound Name2-methyl-5-(trifluoromethyl)-2,3-dihydrothiophene
PubChem CID154541029
Molecular FormulaC6H7F3S
Molecular Weight168.18 g/mol
Exact Mass168.02
IUPAC Name2-methyl-5-(trifluoromethyl)-2,3-dihydrothiophene
SMILESCC1CC=C(C(F)(F)F)S1
InChIInChI=1S/C6H7F3S/c1-4-2-3-5(10-4)6(7,8)9/h3-4H,2H2,1H3
InChIKeyPTRHGOJMBWADQO-UHFFFAOYSA-N
XLogP2.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.18
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(trifluoromethyl)-2,3-dihydrothiophene?
The IUPAC name of 2-methyl-5-(trifluoromethyl)-2,3-dihydrothiophene (CID 154541029) is 2-methyl-5-(trifluoromethyl)-2,3-dihydrothiophene.
What is the SMILES notation for 2-methyl-5-(trifluoromethyl)-2,3-dihydrothiophene?
The canonical SMILES for 2-methyl-5-(trifluoromethyl)-2,3-dihydrothiophene is CC1CC=C(C(F)(F)F)S1.
What is the InChIKey of 2-methyl-5-(trifluoromethyl)-2,3-dihydrothiophene?
The InChIKey is PTRHGOJMBWADQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3S/c1-4-2-3-5(10-4)6(7,8)9/h3-4H,2H2,1H3.
What are the key properties of 2-methyl-5-(trifluoromethyl)-2,3-dihydrothiophene?
2-methyl-5-(trifluoromethyl)-2,3-dihydrothiophene has a molecular weight of 168.18 g/mol, XLogP of 2.96, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(trifluoromethyl)-2,3-dihydrothiophene is sourced from PubChem (CID 154541029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).