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

C9H8F3NOS — CID 167193480

IUPAC3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]cyclopentan-1-one
SMILESO=C1CCC(c2nc(C(F)(F)F)cs2)C1
InChIInChI=1S/C9H8F3NOS/c10-9(11,12)7-4-15-8(13-7)5-1-2-6(14)3-5/h4-5H,1-3H2
InChIKeyRMKXDYORNAKLAV-UHFFFAOYSA-N
MW235.23 g/mol
LogP3.00
Rot. Bonds1

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

3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]cyclopentan-1-one (PubChem CID 167193480) has the molecular formula C9H8F3NOS and a molecular weight of 235.23 g/mol. Its IUPAC name is 3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]cyclopentan-1-one.

Molecular Properties

Compound Name3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]cyclopentan-1-one
PubChem CID167193480
Molecular FormulaC9H8F3NOS
Molecular Weight235.23 g/mol
Exact Mass235.03
IUPAC Name3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]cyclopentan-1-one
SMILESO=C1CCC(c2nc(C(F)(F)F)cs2)C1
InChIInChI=1S/C9H8F3NOS/c10-9(11,12)7-4-15-8(13-7)5-1-2-6(14)3-5/h4-5H,1-3H2
InChIKeyRMKXDYORNAKLAV-UHFFFAOYSA-N
XLogP3.00
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.23
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]cyclopentan-1-one?
The IUPAC name of 3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]cyclopentan-1-one (CID 167193480) is 3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]cyclopentan-1-one.
What is the SMILES notation for 3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]cyclopentan-1-one?
The canonical SMILES for 3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]cyclopentan-1-one is O=C1CCC(c2nc(C(F)(F)F)cs2)C1.
What is the InChIKey of 3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]cyclopentan-1-one?
The InChIKey is RMKXDYORNAKLAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NOS/c10-9(11,12)7-4-15-8(13-7)5-1-2-6(14)3-5/h4-5H,1-3H2.
What are the key properties of 3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]cyclopentan-1-one?
3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]cyclopentan-1-one has a molecular weight of 235.23 g/mol, XLogP of 3.00, 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]cyclopentan-1-one is sourced from PubChem (CID 167193480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).