3-(3-(Trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-2(4H)-yl)propanenitrile - CAS 938018-22-5
Catalog: |
BB048979 |
Product Name: |
3-(3-(Trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-2(4H)-yl)propanenitrile |
CAS: |
938018-22-5 |
Synonyms: |
3-[3-(trifluoromethyl)-4,5,6-trihydrocyclopenta[1,2-c]pyrazol-2-yl]propanenitrile; 2(4H)-Cyclopentapyrazolepropanenitrile, 5,6-dihydro-3-(trifluoromethyl)-; 3-[3-(trifluoromethyl)-2H,4H,5H,6H-cyclopenta[c]pyrazol-2-yl]propanenitrile |
IUPAC Name: | 3-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl]propanenitrile |
Description: | 3-(3-(Trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-2(4H)-yl)propanenitrile (CAS# 938018-22-5 ) is a useful research chemical. |
Molecular Weight: | 229.20 |
Molecular Formula: | C10H10F3N3 |
Canonical SMILES: | C1CC2=C(N(N=C2C1)CCC#N)C(F)(F)F |
InChI: | InChI=1S/C10H10F3N3/c11-10(12,13)9-7-3-1-4-8(7)15-16(9)6-2-5-14/h1-4,6H2 |
InChI Key: | RLNAIOGTVLTGDK-UHFFFAOYSA-N |
Boiling Point: | 315.0±42.0 °C (Predicted) |
Purity: | ≥ 95 % |
Density: | 1.40±0.1 g/cm3 (Predicted) |
Complexity: | 306 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 229.08268182 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 229.08268182 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 41.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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