2-tert-butyl-3,5-difluorothiophene

C8H10F2S — CID 146378275

IUPAC2-tert-butyl-3,5-difluorothiophene
SMILESCC(C)(C)c1sc(F)cc1F
InChIInChI=1S/C8H10F2S/c1-8(2,3)7-5(9)4-6(10)11-7/h4H,1-3H3
InChIKeyRMEGDFPUVXQDCE-UHFFFAOYSA-N
MW176.23 g/mol
LogP3.32
Rot. Bonds

About 2-tert-butyl-3,5-difluorothiophene

2-tert-butyl-3,5-difluorothiophene (PubChem CID 146378275) has the molecular formula C8H10F2S and a molecular weight of 176.23 g/mol. Its IUPAC name is 2-tert-butyl-3,5-difluorothiophene.

Molecular Properties

Compound Name2-tert-butyl-3,5-difluorothiophene
PubChem CID146378275
Molecular FormulaC8H10F2S
Molecular Weight176.23 g/mol
Exact Mass176.05
IUPAC Name2-tert-butyl-3,5-difluorothiophene
SMILESCC(C)(C)c1sc(F)cc1F
InChIInChI=1S/C8H10F2S/c1-8(2,3)7-5(9)4-6(10)11-7/h4H,1-3H3
InChIKeyRMEGDFPUVXQDCE-UHFFFAOYSA-N
XLogP3.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.23
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-tert-butyl-5-fluoro-3-methoxythiophene
CID 146378268
5-tert-butyl-2-(4-tert-butyl-2,6-difluorophenyl)-1,3-difluorobenzene
CID 177477426
4-fluoro-5-(2-hydroxypropan-2-yl)thiophene-2-sulfonamide
CID 146618219
3-tert-butyl-5,5-difluoro-1-methylcyclopenta[c]thiophene-4,6-dione
CID 145470162
2-tert-butyl-3-chloro-5-iodothiophene
CID 146379622
5-fluoro-2-methylthieno[3,2-b]thiophene
CID 129149078
5-tert-butyl-2,3-dimethylthiophene
CID 59772802
5,7-ditert-butylthieno[3,4-b]pyrazine
CID 134445588
2-tert-butyl-5-fluoro-4-methylpyridine
CID 59286667
2,3-ditert-butyl-5-propan-2-ylthiophene
CID 58548228
tetrakis(2,2-dimethylpropane);bis(2-methylpropan-2-amine)
CID 159299187
2,6-ditert-butyl-4-fluoro-1,3-benzothiazole
CID 134411028

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3,5-difluorothiophene?
The IUPAC name of 2-tert-butyl-3,5-difluorothiophene (CID 146378275) is 2-tert-butyl-3,5-difluorothiophene.
What is the SMILES notation for 2-tert-butyl-3,5-difluorothiophene?
The canonical SMILES for 2-tert-butyl-3,5-difluorothiophene is CC(C)(C)c1sc(F)cc1F.
What is the InChIKey of 2-tert-butyl-3,5-difluorothiophene?
The InChIKey is RMEGDFPUVXQDCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2S/c1-8(2,3)7-5(9)4-6(10)11-7/h4H,1-3H3.
What are the key properties of 2-tert-butyl-3,5-difluorothiophene?
2-tert-butyl-3,5-difluorothiophene has a molecular weight of 176.23 g/mol, XLogP of 3.32, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3,5-difluorothiophene is sourced from PubChem (CID 146378275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).