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

C6H7F3S — CID 149378506

IUPAC3-methyl-5-(trifluoromethyl)-2,3-dihydrothiophene
SMILESCC1C=C(C(F)(F)F)SC1
InChIInChI=1S/C6H7F3S/c1-4-2-5(10-3-4)6(7,8)9/h2,4H,3H2,1H3
InChIKeyYLEOSAGZDVFLDB-UHFFFAOYSA-N
MW168.18 g/mol
LogP2.82
Rot. Bonds

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

3-methyl-5-(trifluoromethyl)-2,3-dihydrothiophene (PubChem CID 149378506) has the molecular formula C6H7F3S and a molecular weight of 168.18 g/mol. Its IUPAC name is 3-methyl-5-(trifluoromethyl)-2,3-dihydrothiophene.

Molecular Properties

Compound Name3-methyl-5-(trifluoromethyl)-2,3-dihydrothiophene
PubChem CID149378506
Molecular FormulaC6H7F3S
Molecular Weight168.18 g/mol
Exact Mass168.02
IUPAC Name3-methyl-5-(trifluoromethyl)-2,3-dihydrothiophene
SMILESCC1C=C(C(F)(F)F)SC1
InChIInChI=1S/C6H7F3S/c1-4-2-5(10-3-4)6(7,8)9/h2,4H,3H2,1H3
InChIKeyYLEOSAGZDVFLDB-UHFFFAOYSA-N
XLogP2.82
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 ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(trifluoromethyl)-2,3-dihydrothiophene?
The IUPAC name of 3-methyl-5-(trifluoromethyl)-2,3-dihydrothiophene (CID 149378506) is 3-methyl-5-(trifluoromethyl)-2,3-dihydrothiophene.
What is the SMILES notation for 3-methyl-5-(trifluoromethyl)-2,3-dihydrothiophene?
The canonical SMILES for 3-methyl-5-(trifluoromethyl)-2,3-dihydrothiophene is CC1C=C(C(F)(F)F)SC1.
What is the InChIKey of 3-methyl-5-(trifluoromethyl)-2,3-dihydrothiophene?
The InChIKey is YLEOSAGZDVFLDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3S/c1-4-2-5(10-3-4)6(7,8)9/h2,4H,3H2,1H3.
What are the key properties of 3-methyl-5-(trifluoromethyl)-2,3-dihydrothiophene?
3-methyl-5-(trifluoromethyl)-2,3-dihydrothiophene has a molecular weight of 168.18 g/mol, XLogP of 2.82, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(trifluoromethyl)-2,3-dihydrothiophene is sourced from PubChem (CID 149378506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).