chempirical

Pf-4708671

C19H21F3N6CAS 1255517-76-0390.41 g/mol

Open in Covalent MOL file
NNNNNNHFFF
Alkyl halideTertiary amine

Properties

Molecular formula
C19H21F3N6
Molar mass
390.41 g/mol
Exact mass
390.1780 Da
logP
3.26Crippen estimate
Polar surface area
60.9 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
4

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
1255517-76-0
SMILES
CCC1=CN=CN=C1N2CCN(CC2)CC3=NC4=C(N3)C=C(C=C4)C(F)(F)F
InChIKey
FBLPQCAQRNSVHB-UHFFFAOYSA-N
InChI
InChI=1S/C19H21F3N6/c1-2-13-10-23-12-24-18(13)28-7-5-27(6-8-28)11-17-25-15-4-3-14(19(20,21)22)9-16(15)26-17/h3-4,9-10,12H,2,5-8,11H2,1H3,(H,25,26)

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Work with Pf-4708671

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3-[6-(Trifluoromethyl)-1H-benzimidazol-2-yl]propan-1-ol175135-15-641 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook