Ethyl 2,2,2-trifluoro-1-(2-pyrimidinylamino)-1-(trifluoromethyl)ethylcarbamate

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Basic information

CAS: 256333-13-8
Standard SMILES: CCOC(=O)NC(Nc1ncccn1)(C(F)(F)F)C(F)(F)F
InChIKey: LXVIRNFYZXYNHX-UHFFFAOYSA-N
Molecular formula: C10H10F6N4O2
Average molar mass: 332.2 g/mol
Monoisotopic mass: 332.07079455

Names & identifiers

Preferred name: Ethyl 2,2,2-trifluoro-1-(2-pyrimidinylamino)-1-(trifluoromethyl)ethylcarbamate
IUPAC: ethyl N-[1,1,1,3,3,3-hexafluoro-2-(pyrimidin-2-ylamino)propan-2-yl]carbamate

Names & synonyms

256333-13-8NSC671991Ethyl 2,2,2-trifluoro-1-(2-pyrimidinylamino)-1-(trifluoromethyl)ethylcarbamateethyl [2,2,2-trifluoro-1-(2-pyrimidinylamino)-1-(trifluoromethyl)ethyl]carbamateMLS000104353SCHEMBL5999617CHEMBL1378650DTXSID80327626LXVIRNFYZXYNHX-UHFFFAOYSA-NHMS2285F21AKOS003317924NSC-671991

Show more names

ethyl N-[1,1,1,3,3,3-hexafluoro-2-(pyrimidin-2-ylamino)propan-2-yl]carbamateNCI60_025487SMR000054288Ethyl [1,1,1,3,3,3-hexafluoro-2-(2-pyrimidinylamino)-2-propanyl]carbamateEthyl {1,1,1,3,3,3-hexafluoro-2-[(pyrimidin-2-yl)amino]propan-2-yl}carbamateethyl N-[2,2,2-trifluoro-1-(pyrimidin-2-ylamino)-1-(trifluoromethyl)ethyl]carbamateCarbamic acid, N-[2,2,2-trifluoro-1-(2-pyrimidinylamino)-1-(trifluoromethyl)ethyl]-, ethyl ester

Database identifiers

CAS: 256333-13-8
PubChem CID: 383573
DTXSID: DTXSID80327626
ChEMBL: CHEMBL1378650

Properties

Computed structural properties

XLogP: 3.4
Topological polar surface area: 76.1 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 11
Rotatable bonds: 5
Heavy atoms: 22
Formal charge: 0
Complexity: 367

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Compound notes

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