5-methyl-2-(1,1,1-trifluoropropan-2-yl)-2,3-dihydrothiophene

C8H11F3S — CID 147361574

IUPAC5-methyl-2-(1,1,1-trifluoropropan-2-yl)-2,3-dihydrothiophene
SMILESCC1=CCC(C(C)C(F)(F)F)S1
InChIInChI=1S/C8H11F3S/c1-5-3-4-7(12-5)6(2)8(9,10)11/h3,6-7H,4H2,1-2H3
InChIKeyDHJFZDUBGLQDTA-UHFFFAOYSA-N
MW196.24 g/mol
LogP3.59
Rot. Bonds1

About 5-methyl-2-(1,1,1-trifluoropropan-2-yl)-2,3-dihydrothiophene

5-methyl-2-(1,1,1-trifluoropropan-2-yl)-2,3-dihydrothiophene (PubChem CID 147361574) has the molecular formula C8H11F3S and a molecular weight of 196.24 g/mol. Its IUPAC name is 5-methyl-2-(1,1,1-trifluoropropan-2-yl)-2,3-dihydrothiophene.

Molecular Properties

Compound Name5-methyl-2-(1,1,1-trifluoropropan-2-yl)-2,3-dihydrothiophene
PubChem CID147361574
Molecular FormulaC8H11F3S
Molecular Weight196.24 g/mol
Exact Mass196.05
IUPAC Name5-methyl-2-(1,1,1-trifluoropropan-2-yl)-2,3-dihydrothiophene
SMILESCC1=CCC(C(C)C(F)(F)F)S1
InChIInChI=1S/C8H11F3S/c1-5-3-4-7(12-5)6(2)8(9,10)11/h3,6-7H,4H2,1-2H3
InChIKeyDHJFZDUBGLQDTA-UHFFFAOYSA-N
XLogP3.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.24
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-Methyl-2-propan-2-yl-2,3-dihydrothiophene
CID 12596207
5-(2-Methylpropyl)-2,3-dihydrothiophene
CID 89105514
6-butan-2-yl-2-fluoro-3,4-dihydro-2H-thiopyran
CID 67802537
4,4,5,5,6,6,6-Heptafluoro-3-methyl-1-propylsulfanylhex-2-ene
CID 91575657
3-(Difluoromethyl)-2,4-dimethyl-1-(2,2,2-trifluoroethylsulfanyl)cyclohexa-1,4-diene
CID 123833213
1-Methylsulfanyl-4-(trifluoromethyl)cyclohexene
CID 134474834
3-(2-Fluoropentyl)-5-methyl-2,3-dihydrothiophene
CID 137417226
(Z)-5,5,5-trifluoro-4-methyl-3-propan-2-ylsulfanylpent-2-ene
CID 142856958
(E,5S)-6-methyl-5-methylsulfanyl-1-(3,3,3-trifluoropropylsulfanyl)hept-2-ene
CID 147599753
(4S)-2-(fluoromethyl)-4-methyl-6-propan-2-yl-3,4-dihydro-2H-thiopyran
CID 163447135
3-Ethyl-5-fluoro-2,3,6,7-tetrahydrothiepine
CID 163607684
(2R)-2-(fluoromethyl)-6-propan-2-yl-3,4-dihydro-2H-thiopyran
CID 163983028

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(1,1,1-trifluoropropan-2-yl)-2,3-dihydrothiophene?
The IUPAC name of 5-methyl-2-(1,1,1-trifluoropropan-2-yl)-2,3-dihydrothiophene (CID 147361574) is 5-methyl-2-(1,1,1-trifluoropropan-2-yl)-2,3-dihydrothiophene.
What is the SMILES notation for 5-methyl-2-(1,1,1-trifluoropropan-2-yl)-2,3-dihydrothiophene?
The canonical SMILES for 5-methyl-2-(1,1,1-trifluoropropan-2-yl)-2,3-dihydrothiophene is CC1=CCC(C(C)C(F)(F)F)S1.
What is the InChIKey of 5-methyl-2-(1,1,1-trifluoropropan-2-yl)-2,3-dihydrothiophene?
The InChIKey is DHJFZDUBGLQDTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3S/c1-5-3-4-7(12-5)6(2)8(9,10)11/h3,6-7H,4H2,1-2H3.
What are the key properties of 5-methyl-2-(1,1,1-trifluoropropan-2-yl)-2,3-dihydrothiophene?
5-methyl-2-(1,1,1-trifluoropropan-2-yl)-2,3-dihydrothiophene has a molecular weight of 196.24 g/mol, XLogP of 3.59, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(1,1,1-trifluoropropan-2-yl)-2,3-dihydrothiophene is sourced from PubChem (CID 147361574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).