4,4,4-trifluorobut-2-enenitrile

4,4,4-trifluorobut-2-enenitrile

CAS: 406-86-0

Formula: C4H2F3N

SMILES: FC(F)(F)C=CC#N

IUPAC: 4,4,4-trifluorobut-2-enenitrile

InChI: InChI=1S/C4H2F3N/c5-4(6,7)2-1-3-8/h1-2H

Composition: C (39.69%), H (1.67%), F (47.08%), N (11.57%)

Molar Mass: 121.062

Atom Count: 10

Heavy Atom Count: 8

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	121.013933557
Formal Charge	0
FSP3	0.25
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	LHWSEFCIRYVTLZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	22.88
Topological Polar Surface Area	23.79
Polarizability	7.4
Ring Count	0
Rotatable Bond Count	1

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