1,1,1-trifluoro-4-hydroxy-4-(pyridin-4-yl)but-3-en-2-one

1,1,1-trifluoro-4-hydroxy-4-(pyridin-4-yl)but-3-en-2-one

CAS: 399-06-4

Formula: C9H6F3NO2

SMILES: OC(=CC(=O)C(F)(F)F)C1=CC=NC=C1

IUPAC: 1,1,1-trifluoro-4-hydroxy-4-(pyridin-4-yl)but-3-en-2-one

InChI: InChI=1S/C9H6F3NO2/c10-9(11,12)8(15)5-7(14)6-1-3-13-4-2-6/h1-5,14H

Composition: C (49.78%), H (2.79%), F (26.25%), N (6.45%), O (14.74%)

Molar Mass: 217.147

Atom Count: 21

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	217.035062926
Formal Charge	0
FSP3	0.11
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	AFYHDCSLBGBZMW-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	47.36
Topological Polar Surface Area	50.19
Polarizability	16.75
Ring Count	1
Rotatable Bond Count	3

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