2,3-dimethylidene-5-(1,1,1-trifluoropropan-2-yl)thiophene

C9H9F3S — CID 169130356

IUPAC2,3-dimethylidene-5-(1,1,1-trifluoropropan-2-yl)thiophene
SMILESC=c1cc(C(C)C(F)(F)F)sc1=C
InChIInChI=1S/C9H9F3S/c1-5-4-8(13-7(5)3)6(2)9(10,11)12/h4,6H,1,3H2,2H3
InChIKeyDZOOOPYOCCWMAQ-UHFFFAOYSA-N
MW206.23 g/mol
LogP2.23
Rot. Bonds1

About 2,3-dimethylidene-5-(1,1,1-trifluoropropan-2-yl)thiophene

2,3-dimethylidene-5-(1,1,1-trifluoropropan-2-yl)thiophene (PubChem CID 169130356) has the molecular formula C9H9F3S and a molecular weight of 206.23 g/mol. Its IUPAC name is 2,3-dimethylidene-5-(1,1,1-trifluoropropan-2-yl)thiophene.

Molecular Properties

Compound Name2,3-dimethylidene-5-(1,1,1-trifluoropropan-2-yl)thiophene
PubChem CID169130356
Molecular FormulaC9H9F3S
Molecular Weight206.23 g/mol
Exact Mass206.04
IUPAC Name2,3-dimethylidene-5-(1,1,1-trifluoropropan-2-yl)thiophene
SMILESC=c1cc(C(C)C(F)(F)F)sc1=C
InChIInChI=1S/C9H9F3S/c1-5-4-8(13-7(5)3)6(2)9(10,11)12/h4,6H,1,3H2,2H3
InChIKeyDZOOOPYOCCWMAQ-UHFFFAOYSA-N
XLogP2.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.23
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

7,7-Difluoro-6-methylidene-5-methylsulfanylocta-1,4-diene
CID 123169330
2,3-Dimethylidene-5-(2,2,2-trifluoroethyl)thiophene
CID 123768284
2-Ethylidene-3-methylidene-5-(2,2,2-trifluoroethyl)thiophene
CID 123823833
(3Z)-3-methyl-2-(methylsulfanylmethyl)-5-(trifluoromethyl)octa-1,3,5-triene
CID 132239726
5-(2,2-Difluoropropyl)-2-methylidene-3-propan-2-ylidenethiophene
CID 134364769
2,4,5-Trimethyl-1-(2,2,2-trifluoroethylsulfanyl)cyclohepta-1,3,5-triene
CID 134569633
(3E,4Z)-3-ethylidene-7,7,7-trifluoro-2-methylsulfanylhepta-1,4-diene
CID 134569800
(3Z)-2-methyl-5-(trifluoromethylsulfanyl)hexa-1,3,5-triene
CID 141981513
(3Z)-4-methyl-3-[(2E)-3-(trifluoromethyl)penta-2,4-dienylidene]thiophene
CID 142164344
(2E)-4-methyl-3-methylidene-2-[(E)-2-(trifluoromethyl)but-2-enylidene]thiophene
CID 142164566
1-(2-Methylbut-3-en-2-ylsulfanyl)-3-(trifluoromethyl)cyclohexa-1,3-diene
CID 143964347
Ethane;1-methyl-4-(trifluoromethylsulfanyl)cyclohexa-1,3-diene
CID 144994270

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylidene-5-(1,1,1-trifluoropropan-2-yl)thiophene?
The IUPAC name of 2,3-dimethylidene-5-(1,1,1-trifluoropropan-2-yl)thiophene (CID 169130356) is 2,3-dimethylidene-5-(1,1,1-trifluoropropan-2-yl)thiophene.
What is the SMILES notation for 2,3-dimethylidene-5-(1,1,1-trifluoropropan-2-yl)thiophene?
The canonical SMILES for 2,3-dimethylidene-5-(1,1,1-trifluoropropan-2-yl)thiophene is C=c1cc(C(C)C(F)(F)F)sc1=C.
What is the InChIKey of 2,3-dimethylidene-5-(1,1,1-trifluoropropan-2-yl)thiophene?
The InChIKey is DZOOOPYOCCWMAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3S/c1-5-4-8(13-7(5)3)6(2)9(10,11)12/h4,6H,1,3H2,2H3.
What are the key properties of 2,3-dimethylidene-5-(1,1,1-trifluoropropan-2-yl)thiophene?
2,3-dimethylidene-5-(1,1,1-trifluoropropan-2-yl)thiophene has a molecular weight of 206.23 g/mol, XLogP of 2.23, 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-(1,1,1-trifluoropropan-2-yl)thiophene is sourced from PubChem (CID 169130356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).