4-(1,1-difluoro-2-methylpropyl)-2-methylthiophene

C9H12F2S — CID 154677457

IUPAC4-(1,1-difluoro-2-methylpropyl)-2-methylthiophene
SMILESCc1cc(C(F)(F)C(C)C)cs1
InChIInChI=1S/C9H12F2S/c1-6(2)9(10,11)8-4-7(3)12-5-8/h4-6H,1-3H3
InChIKeyZCIARFWKAXPMCT-UHFFFAOYSA-N
MW190.26 g/mol
LogP3.80
Rot. Bonds2

About 4-(1,1-difluoro-2-methylpropyl)-2-methylthiophene

4-(1,1-difluoro-2-methylpropyl)-2-methylthiophene (PubChem CID 154677457) has the molecular formula C9H12F2S and a molecular weight of 190.26 g/mol. Its IUPAC name is 4-(1,1-difluoro-2-methylpropyl)-2-methylthiophene.

Molecular Properties

Compound Name4-(1,1-difluoro-2-methylpropyl)-2-methylthiophene
PubChem CID154677457
Molecular FormulaC9H12F2S
Molecular Weight190.26 g/mol
Exact Mass190.06
IUPAC Name4-(1,1-difluoro-2-methylpropyl)-2-methylthiophene
SMILESCc1cc(C(F)(F)C(C)C)cs1
InChIInChI=1S/C9H12F2S/c1-6(2)9(10,11)8-4-7(3)12-5-8/h4-6H,1-3H3
InChIKeyZCIARFWKAXPMCT-UHFFFAOYSA-N
XLogP3.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.26
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,4-Dimethylthiophene
CID 34296
2,3-Dimethylthiophene
CID 34295
2,3,5-Trimethylthiophene
CID 74531
Thiophene, 2-(1-methylethyl)-
CID 138113
Thiophene, 2-(2-phenylethenyl)-
CID 1241314
2-(2,2-Dimethylpropyl)thiophene
CID 546189
2-(2-Methylpropyl)thiophene
CID 566432
Thiophene, 2-(phenylmethyl)-
CID 139391
2,4-Di-tert-butylthiophene
CID 602490
3,3'-(Perfluorocyclopent-1-ene-1,2-diyl)bis(2,5-dimethylthiophene)
CID 15535876
2-Ethyl-3-methylthiophene
CID 520543
2-Ethyl-4-methylthiophene
CID 528250

Frequently Asked Questions

What is the IUPAC name of 4-(1,1-difluoro-2-methylpropyl)-2-methylthiophene?
The IUPAC name of 4-(1,1-difluoro-2-methylpropyl)-2-methylthiophene (CID 154677457) is 4-(1,1-difluoro-2-methylpropyl)-2-methylthiophene.
What is the SMILES notation for 4-(1,1-difluoro-2-methylpropyl)-2-methylthiophene?
The canonical SMILES for 4-(1,1-difluoro-2-methylpropyl)-2-methylthiophene is Cc1cc(C(F)(F)C(C)C)cs1.
What is the InChIKey of 4-(1,1-difluoro-2-methylpropyl)-2-methylthiophene?
The InChIKey is ZCIARFWKAXPMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2S/c1-6(2)9(10,11)8-4-7(3)12-5-8/h4-6H,1-3H3.
What are the key properties of 4-(1,1-difluoro-2-methylpropyl)-2-methylthiophene?
4-(1,1-difluoro-2-methylpropyl)-2-methylthiophene has a molecular weight of 190.26 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-difluoro-2-methylpropyl)-2-methylthiophene is sourced from PubChem (CID 154677457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).