Skf-10810

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Basic information

CAS: 18139-33-8
Standard SMILES: CN(C)CCCC1c2ccccc2Oc2ccc(C(F)(F)F)cc21
InChIKey: WRNDGAGUUNVEEO-UHFFFAOYSA-N
Molecular formula: C19H20F3NO
Average molar mass: 335.4 g/mol
Monoisotopic mass: 335.14969875

Names & identifiers

Preferred name: Skf-10810
IUPAC: N,N-dimethyl-3-[2-(trifluoromethyl)-9H-xanthen-9-yl]propan-1-amine

Names & synonyms

094XQE97A4SKF-1081022196-65-29H-Xanthene-9-propanamine, N,N-dimethyl-2-(trifluoromethy9-(3-DIMETHYLAMINOPROPYL)-2-TRIFLUOROMETHYLXANTHENERefChem:1098580N,N-dimethyl-3-(2-(trifluoromethyl)-9H-xanthen-9-yl)-1-propanamine18139-33-8NSC170992UNII-094XQE97A4orb3029059CHEMBL2008709

Show more names

DTXSID20274908WRNDGAGUUNVEEO-UHFFFAOYSA-NN,N-dimethyl-3-[2-(trifluoromethyl)-9H-xanthen-9-yl]propan-1-amineSKF 10810NCI60_001381HY-171471T206064

Database identifiers

CAS: 18139-33-8、22196-65-2
PubChem CID: 30996
DTXSID: DTXSID20274908
ChEMBL: CHEMBL2008709
UNII: 094XQE97A4

Properties

Computed structural properties

XLogP: 4.9
Topological polar surface area: 12.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 4
Heavy atoms: 24
Formal charge: 0
Complexity: 412

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Compound notes

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