3-(1,1,1-trifluoropropan-2-yl)thiophene

C7H7F3S — CID 83381744

IUPAC3-(1,1,1-trifluoropropan-2-yl)thiophene
SMILESCC(c1ccsc1)C(F)(F)F
InChIInChI=1S/C7H7F3S/c1-5(7(8,9)10)6-2-3-11-4-6/h2-5H,1H3
InChIKeyYWHVEDHMBUMPHY-UHFFFAOYSA-N
MW180.19 g/mol
LogP3.41
Rot. Bonds1

About 3-(1,1,1-trifluoropropan-2-yl)thiophene

3-(1,1,1-trifluoropropan-2-yl)thiophene (PubChem CID 83381744) has the molecular formula C7H7F3S and a molecular weight of 180.19 g/mol. Its IUPAC name is 3-(1,1,1-trifluoropropan-2-yl)thiophene.

Molecular Properties

Compound Name3-(1,1,1-trifluoropropan-2-yl)thiophene
PubChem CID83381744
Molecular FormulaC7H7F3S
Molecular Weight180.19 g/mol
Exact Mass180.02
IUPAC Name3-(1,1,1-trifluoropropan-2-yl)thiophene
SMILESCC(c1ccsc1)C(F)(F)F
InChIInChI=1S/C7H7F3S/c1-5(7(8,9)10)6-2-3-11-4-6/h2-5H,1H3
InChIKeyYWHVEDHMBUMPHY-UHFFFAOYSA-N
XLogP3.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.19
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3,3-dimethylbutan-2-yl)thiophene;ethane
CID 143105363
2,2,2-trifluoro-1-thiophen-3-ylethanamine
CID 46785673
3-(3-ethyl-3-methylpentan-2-yl)thiophene
CID 139314791
1-thiophen-3-ylethanol;1,1,1-trifluoro-3-thiophen-3-ylbutan-2-ol
CID 158976619
(1S)-1-thiophen-3-ylethanol
CID 11297979
1-thiophen-3-ylethanol
CID 12744375
1-thiophen-3-yl-N-(1-thiophen-3-ylethyl)ethanamine
CID 14249916
(1S)-N-methyl-1-thiophen-3-ylethanamine
CID 92981912
3,3,3-trifluoro-2-[(1-thiophen-3-ylethylamino)methyl]propanenitrile
CID 103367252
(1S)-3,3,3-trifluoro-1-thiophen-3-ylpropan-1-amine
CID 55296383
methanidyl(1-thiophen-3-ylethyl)azanium
CID 59297819
2,4-di(thiophen-3-yl)pentan-3-one
CID 67673002

Frequently Asked Questions

What is the IUPAC name of 3-(1,1,1-trifluoropropan-2-yl)thiophene?
The IUPAC name of 3-(1,1,1-trifluoropropan-2-yl)thiophene (CID 83381744) is 3-(1,1,1-trifluoropropan-2-yl)thiophene.
What is the SMILES notation for 3-(1,1,1-trifluoropropan-2-yl)thiophene?
The canonical SMILES for 3-(1,1,1-trifluoropropan-2-yl)thiophene is CC(c1ccsc1)C(F)(F)F.
What is the InChIKey of 3-(1,1,1-trifluoropropan-2-yl)thiophene?
The InChIKey is YWHVEDHMBUMPHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3S/c1-5(7(8,9)10)6-2-3-11-4-6/h2-5H,1H3.
What are the key properties of 3-(1,1,1-trifluoropropan-2-yl)thiophene?
3-(1,1,1-trifluoropropan-2-yl)thiophene has a molecular weight of 180.19 g/mol, XLogP of 3.41, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1,1-trifluoropropan-2-yl)thiophene is sourced from PubChem (CID 83381744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).