3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]cyclopent-2-en-1-one

C9H6F3NOS — CID 172810369

IUPAC3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]cyclopent-2-en-1-one
SMILESO=C1C=C(c2nc(C(F)(F)F)cs2)CC1
InChIInChI=1S/C9H6F3NOS/c10-9(11,12)7-4-15-8(13-7)5-1-2-6(14)3-5/h3-4H,1-2H2
InChIKeySCAUOLRTQUSZPA-UHFFFAOYSA-N
MW233.21 g/mol
LogP2.91
Rot. Bonds1

About 3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]cyclopent-2-en-1-one

3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]cyclopent-2-en-1-one (PubChem CID 172810369) has the molecular formula C9H6F3NOS and a molecular weight of 233.21 g/mol. Its IUPAC name is 3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]cyclopent-2-en-1-one.

Molecular Properties

Compound Name3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]cyclopent-2-en-1-one
PubChem CID172810369
Molecular FormulaC9H6F3NOS
Molecular Weight233.21 g/mol
Exact Mass233.01
IUPAC Name3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]cyclopent-2-en-1-one
SMILESO=C1C=C(c2nc(C(F)(F)F)cs2)CC1
InChIInChI=1S/C9H6F3NOS/c10-9(11,12)7-4-15-8(13-7)5-1-2-6(14)3-5/h3-4H,1-2H2
InChIKeySCAUOLRTQUSZPA-UHFFFAOYSA-N
XLogP2.91
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.21
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(Trifluoromethyl)-1,3-thiazol-4-yl]cyclopent-2-en-1-one
CID 147180561
2-(Cyclopenten-1-yl)-4-(trifluoromethyl)-1,3-thiazole
CID 164588503
3-[(2-Methyl-1,3-thiazol-4-yl)methyl]cyclopent-2-en-1-one
CID 65872448
3-[(4-Tert-butyl-1,3-thiazol-2-yl)methyl]cyclopent-2-en-1-one
CID 79817854
3-[(4-Methyl-1,3-thiazol-2-yl)methyl]cyclohex-2-en-1-one
CID 80325244
3-[(4-Methyl-1,3-thiazol-2-yl)methyl]cyclopent-2-en-1-one
CID 80325433
3-Ethyl-1-(4-methyl-1,3-thiazol-2-yl)pent-3-en-2-one
CID 103447594
1-(Cyclopenten-1-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 103448185
3-[(4-Methyl-1,3-thiazol-2-yl)methyl]cyclohept-2-en-1-one
CID 107382988

Frequently Asked Questions

What is the IUPAC name of 3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]cyclopent-2-en-1-one?
The IUPAC name of 3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]cyclopent-2-en-1-one (CID 172810369) is 3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]cyclopent-2-en-1-one.
What is the SMILES notation for 3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]cyclopent-2-en-1-one?
The canonical SMILES for 3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]cyclopent-2-en-1-one is O=C1C=C(c2nc(C(F)(F)F)cs2)CC1.
What is the InChIKey of 3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]cyclopent-2-en-1-one?
The InChIKey is SCAUOLRTQUSZPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F3NOS/c10-9(11,12)7-4-15-8(13-7)5-1-2-6(14)3-5/h3-4H,1-2H2.
What are the key properties of 3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]cyclopent-2-en-1-one?
3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]cyclopent-2-en-1-one has a molecular weight of 233.21 g/mol, XLogP of 2.91, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]cyclopent-2-en-1-one is sourced from PubChem (CID 172810369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).