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

C7H9F3S — CID 162604442

IUPAC5-(1,1,1-trifluoropropan-2-yl)-2,3-dihydrothiophene
SMILESCC(C1=CCCS1)C(F)(F)F
InChIInChI=1S/C7H9F3S/c1-5(7(8,9)10)6-3-2-4-11-6/h3,5H,2,4H2,1H3
InChIKeyCTGSQVAWOVFUBG-UHFFFAOYSA-N
MW182.21 g/mol
LogP3.21
Rot. Bonds1

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

5-(1,1,1-trifluoropropan-2-yl)-2,3-dihydrothiophene (PubChem CID 162604442) has the molecular formula C7H9F3S and a molecular weight of 182.21 g/mol. Its IUPAC name is 5-(1,1,1-trifluoropropan-2-yl)-2,3-dihydrothiophene.

Molecular Properties

Compound Name5-(1,1,1-trifluoropropan-2-yl)-2,3-dihydrothiophene
PubChem CID162604442
Molecular FormulaC7H9F3S
Molecular Weight182.21 g/mol
Exact Mass182.04
IUPAC Name5-(1,1,1-trifluoropropan-2-yl)-2,3-dihydrothiophene
SMILESCC(C1=CCCS1)C(F)(F)F
InChIInChI=1S/C7H9F3S/c1-5(7(8,9)10)6-3-2-4-11-6/h3,5H,2,4H2,1H3
InChIKeyCTGSQVAWOVFUBG-UHFFFAOYSA-N
XLogP3.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.21
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(1,1,1-trifluoropropan-2-yl)-2,3-dihydrothiophene?
The IUPAC name of 5-(1,1,1-trifluoropropan-2-yl)-2,3-dihydrothiophene (CID 162604442) is 5-(1,1,1-trifluoropropan-2-yl)-2,3-dihydrothiophene.
What is the SMILES notation for 5-(1,1,1-trifluoropropan-2-yl)-2,3-dihydrothiophene?
The canonical SMILES for 5-(1,1,1-trifluoropropan-2-yl)-2,3-dihydrothiophene is CC(C1=CCCS1)C(F)(F)F.
What is the InChIKey of 5-(1,1,1-trifluoropropan-2-yl)-2,3-dihydrothiophene?
The InChIKey is CTGSQVAWOVFUBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3S/c1-5(7(8,9)10)6-3-2-4-11-6/h3,5H,2,4H2,1H3.
What are the key properties of 5-(1,1,1-trifluoropropan-2-yl)-2,3-dihydrothiophene?
5-(1,1,1-trifluoropropan-2-yl)-2,3-dihydrothiophene has a molecular weight of 182.21 g/mol, XLogP of 3.21, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1,1-trifluoropropan-2-yl)-2,3-dihydrothiophene is sourced from PubChem (CID 162604442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).