5-(trifluoromethyl)-1H-pyrazole-3-carbaldehyde

5-(trifluoromethyl)-1H-pyrazole-3-carbaldehyde

CAS: 591234-14-9

Formula: C5H3F3N2O

SMILES: FC(F)(F)C1=CC(C=O)=NN1

IUPAC: 5-(trifluoromethyl)-1H-pyrazole-3-carbaldehyde

InChI: InChI=1S/C5H3F3N2O/c6-5(7,8)4-1-3(2-11)9-10-4/h1-2H,(H,9,10)

Composition: C (36.60%), H (1.84%), F (34.73%), N (17.07%), O (9.75%)

Molar Mass: 164.087

Atom Count: 14

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	164.019747214
Formal Charge	0
FSP3	0.2
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	ILVBFKAVWNSXGZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	31.8
Topological Polar Surface Area	45.75
Polarizability	10.65
Ring Count	1
Rotatable Bond Count	2

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