3-[5-methyl-2-(trifluoromethyl)furan-3-yl]-3-oxopropanenitrile

3-[5-methyl-2-(trifluoromethyl)furan-3-yl]-3-oxopropanenitrile

CAS: 175276-72-9

Formula: C9H6F3NO2

SMILES: CC1=CC(C(=O)CC#N)=C(O1)C(F)(F)F

IUPAC: 3-[5-methyl-2-(trifluoromethyl)furan-3-yl]-3-oxopropanenitrile

InChI: InChI=1S/C9H6F3NO2/c1-5-4-6(7(14)2-3-13)8(15-5)9(10,11)12/h4H,2H2,1H3

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	0.33
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	FJIIDKSIRKJEOJ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	45.3
Topological Polar Surface Area	54
Polarizability	15.88
Ring Count	1
Rotatable Bond Count	3

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