2-[(2-fluorocyclohexa-2,4-dien-1-yl)methylimino]-5-methyl-5-(trifluoromethyl)-1,3-thiazolidin-4-one

C12H12F4N2OS — CID 143468261

IUPAC2-[(2-fluorocyclohexa-2,4-dien-1-yl)methylimino]-5-methyl-5-(trifluoromethyl)-1,3-thiazolidin-4-one
SMILESCC1(C(F)(F)F)S/C(=N/CC2CC=CC=C2F)NC1=O
InChIInChI=1S/C12H12F4N2OS/c1-11(12(14,15)16)9(19)18-10(20-11)17-6-7-4-2-3-5-8(7)13/h2-3,5,7H,4,6H2,1H3,(H,17,18,19)
InChIKeyNFTZSCZHLQIJPK-UHFFFAOYSA-N
MW308.30 g/mol
LogP2.96
Rot. Bonds2

About 2-[(2-fluorocyclohexa-2,4-dien-1-yl)methylimino]-5-methyl-5-(trifluoromethyl)-1,3-thiazolidin-4-one

2-[(2-fluorocyclohexa-2,4-dien-1-yl)methylimino]-5-methyl-5-(trifluoromethyl)-1,3-thiazolidin-4-one (PubChem CID 143468261) has the molecular formula C12H12F4N2OS and a molecular weight of 308.30 g/mol. Its IUPAC name is 2-[(2-fluorocyclohexa-2,4-dien-1-yl)methylimino]-5-methyl-5-(trifluoromethyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[(2-fluorocyclohexa-2,4-dien-1-yl)methylimino]-5-methyl-5-(trifluoromethyl)-1,3-thiazolidin-4-one
PubChem CID143468261
Molecular FormulaC12H12F4N2OS
Molecular Weight308.30 g/mol
Exact Mass308.06
IUPAC Name2-[(2-fluorocyclohexa-2,4-dien-1-yl)methylimino]-5-methyl-5-(trifluoromethyl)-1,3-thiazolidin-4-one
SMILESCC1(C(F)(F)F)S/C(=N/CC2CC=CC=C2F)NC1=O
InChIInChI=1S/C12H12F4N2OS/c1-11(12(14,15)16)9(19)18-10(20-11)17-6-7-4-2-3-5-8(7)13/h2-3,5,7H,4,6H2,1H3,(H,17,18,19)
InChIKeyNFTZSCZHLQIJPK-UHFFFAOYSA-N
XLogP2.96
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.30
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorocyclohexa-2,4-dien-1-yl)methylimino]-5-methyl-5-(trifluoromethyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-[(2-fluorocyclohexa-2,4-dien-1-yl)methylimino]-5-methyl-5-(trifluoromethyl)-1,3-thiazolidin-4-one (CID 143468261) is 2-[(2-fluorocyclohexa-2,4-dien-1-yl)methylimino]-5-methyl-5-(trifluoromethyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[(2-fluorocyclohexa-2,4-dien-1-yl)methylimino]-5-methyl-5-(trifluoromethyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[(2-fluorocyclohexa-2,4-dien-1-yl)methylimino]-5-methyl-5-(trifluoromethyl)-1,3-thiazolidin-4-one is CC1(C(F)(F)F)S/C(=N/CC2CC=CC=C2F)NC1=O.
What is the InChIKey of 2-[(2-fluorocyclohexa-2,4-dien-1-yl)methylimino]-5-methyl-5-(trifluoromethyl)-1,3-thiazolidin-4-one?
The InChIKey is NFTZSCZHLQIJPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F4N2OS/c1-11(12(14,15)16)9(19)18-10(20-11)17-6-7-4-2-3-5-8(7)13/h2-3,5,7H,4,6H2,1H3,(H,17,18,19).
What are the key properties of 2-[(2-fluorocyclohexa-2,4-dien-1-yl)methylimino]-5-methyl-5-(trifluoromethyl)-1,3-thiazolidin-4-one?
2-[(2-fluorocyclohexa-2,4-dien-1-yl)methylimino]-5-methyl-5-(trifluoromethyl)-1,3-thiazolidin-4-one has a molecular weight of 308.30 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorocyclohexa-2,4-dien-1-yl)methylimino]-5-methyl-5-(trifluoromethyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 143468261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).