2,3-dimethylidene-5-(2,2,2-trifluoroethyl)thiophene

C8H7F3S — CID 123768284

IUPAC2,3-dimethylidene-5-(2,2,2-trifluoroethyl)thiophene
SMILESC=c1cc(CC(F)(F)F)sc1=C
InChIInChI=1S/C8H7F3S/c1-5-3-7(12-6(5)2)4-8(9,10)11/h3H,1-2,4H2
InChIKeyWAEOORYUIXXVDN-UHFFFAOYSA-N
MW192.20 g/mol
LogP1.67
Rot. Bonds1

About 2,3-dimethylidene-5-(2,2,2-trifluoroethyl)thiophene

2,3-dimethylidene-5-(2,2,2-trifluoroethyl)thiophene (PubChem CID 123768284) has the molecular formula C8H7F3S and a molecular weight of 192.20 g/mol. Its IUPAC name is 2,3-dimethylidene-5-(2,2,2-trifluoroethyl)thiophene.

Molecular Properties

Compound Name2,3-dimethylidene-5-(2,2,2-trifluoroethyl)thiophene
PubChem CID123768284
Molecular FormulaC8H7F3S
Molecular Weight192.20 g/mol
Exact Mass192.02
IUPAC Name2,3-dimethylidene-5-(2,2,2-trifluoroethyl)thiophene
SMILESC=c1cc(CC(F)(F)F)sc1=C
InChIInChI=1S/C8H7F3S/c1-5-3-7(12-6(5)2)4-8(9,10)11/h3H,1-2,4H2
InChIKeyWAEOORYUIXXVDN-UHFFFAOYSA-N
XLogP1.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.20
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-[2-(Trifluoromethylsulfanyl)ethylidene]cyclopenta-1,3-diene
CID 166441103
2-Ethylidene-3-methylidene-5-(2,2,2-trifluoroethyl)thiophene
CID 123823833
5-(2,2-Difluoropropyl)-2-methylidene-3-propan-2-ylidenethiophene
CID 134364769
(3Z,5E)-2,3-dimethyl-6-(trifluoromethylsulfanyl)hepta-1,3,5-triene
CID 147896476
2-(Trifluoromethyl)-5,6-dihydro-1-benzothiophene
CID 152325903
1-(Trifluoromethylsulfanyl)cyclopenta-1,3-diene
CID 157613333
5-(Trifluoromethyl)-1,7-dihydrodibenzothiophen-5-ium
CID 163342340
5-[2-(Trifluoromethylsulfanyl)ethylidene]cyclopenta-1,3-diene
CID 166441104
2,3-Dimethylidene-5-(1,1,1-trifluoropropan-2-yl)thiophene
CID 169130356

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylidene-5-(2,2,2-trifluoroethyl)thiophene?
The IUPAC name of 2,3-dimethylidene-5-(2,2,2-trifluoroethyl)thiophene (CID 123768284) is 2,3-dimethylidene-5-(2,2,2-trifluoroethyl)thiophene.
What is the SMILES notation for 2,3-dimethylidene-5-(2,2,2-trifluoroethyl)thiophene?
The canonical SMILES for 2,3-dimethylidene-5-(2,2,2-trifluoroethyl)thiophene is C=c1cc(CC(F)(F)F)sc1=C.
What is the InChIKey of 2,3-dimethylidene-5-(2,2,2-trifluoroethyl)thiophene?
The InChIKey is WAEOORYUIXXVDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3S/c1-5-3-7(12-6(5)2)4-8(9,10)11/h3H,1-2,4H2.
What are the key properties of 2,3-dimethylidene-5-(2,2,2-trifluoroethyl)thiophene?
2,3-dimethylidene-5-(2,2,2-trifluoroethyl)thiophene has a molecular weight of 192.20 g/mol, XLogP of 1.67, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylidene-5-(2,2,2-trifluoroethyl)thiophene is sourced from PubChem (CID 123768284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).