5-(trifluoromethyl)-2,3-dihydrothiophene

C5H5F3S — CID 123779355

IUPAC5-(trifluoromethyl)-2,3-dihydrothiophene
SMILESFC(F)(F)C1=CCCS1
InChIInChI=1S/C5H5F3S/c6-5(7,8)4-2-1-3-9-4/h2H,1,3H2
InChIKeyKODMKLYQKYPOEQ-UHFFFAOYSA-N
MW154.16 g/mol
LogP2.57
Rot. Bonds

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

5-(trifluoromethyl)-2,3-dihydrothiophene (PubChem CID 123779355) has the molecular formula C5H5F3S and a molecular weight of 154.16 g/mol. Its IUPAC name is 5-(trifluoromethyl)-2,3-dihydrothiophene.

Molecular Properties

Compound Name5-(trifluoromethyl)-2,3-dihydrothiophene
PubChem CID123779355
Molecular FormulaC5H5F3S
Molecular Weight154.16 g/mol
Exact Mass154.01
IUPAC Name5-(trifluoromethyl)-2,3-dihydrothiophene
SMILESFC(F)(F)C1=CCCS1
InChIInChI=1S/C5H5F3S/c6-5(7,8)4-2-1-3-9-4/h2H,1,3H2
InChIKeyKODMKLYQKYPOEQ-UHFFFAOYSA-N
XLogP2.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.16
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(Trifluoromethyl)-2,5-dihydrothiophene
CID 134857826
4-(Trifluoromethyl)-3,6-dihydro-2 H-thiopyran
CID 162787526
6-(Trifluoromethyl)-3,4-dihydro-2 H-thiopyran
CID 162787527
2-Fluoro-5-methyl-2,3-dihydrothiophene
CID 146392773
3-methyl-5,5-bis(trifluoromethyl)-2H-thiophene
CID 85748409
3,5-dimethyl-5-(trifluoromethyl)-2H-thiophene
CID 85748412
3-Methyl-5-(trifluoromethyl)-2,3-dihydrothiophene
CID 149378506
2-Methyl-5-(trifluoromethyl)-2,3-dihydrothiophene
CID 154541029
(Z)-3-ethylsulfanyl-1,1,1-trifluoropent-2-ene
CID 162587996
5-(1,1,1-Trifluoropropan-2-yl)-2,3-dihydrothiophene
CID 162604442

Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethyl)-2,3-dihydrothiophene?
The IUPAC name of 5-(trifluoromethyl)-2,3-dihydrothiophene (CID 123779355) is 5-(trifluoromethyl)-2,3-dihydrothiophene.
What is the SMILES notation for 5-(trifluoromethyl)-2,3-dihydrothiophene?
The canonical SMILES for 5-(trifluoromethyl)-2,3-dihydrothiophene is FC(F)(F)C1=CCCS1.
What is the InChIKey of 5-(trifluoromethyl)-2,3-dihydrothiophene?
The InChIKey is KODMKLYQKYPOEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3S/c6-5(7,8)4-2-1-3-9-4/h2H,1,3H2.
What are the key properties of 5-(trifluoromethyl)-2,3-dihydrothiophene?
5-(trifluoromethyl)-2,3-dihydrothiophene has a molecular weight of 154.16 g/mol, XLogP of 2.57, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethyl)-2,3-dihydrothiophene is sourced from PubChem (CID 123779355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).