3,3,3-trifluoro-2-oxopropanamide hydrate

3,3,3-trifluoro-2-oxopropanamide hydrate

CAS: 1210756-85-6

Formula: C3H4F3NO3

SMILES: O.NC(=O)C(=O)C(F)(F)F

IUPAC: 3,3,3-trifluoro-2-oxopropanamide hydrate

InChI: InChI=1S/C3H2F3NO2.H2O/c4-3(5,6)1(8)2(7)9;/h(H2,7,9);1H2

Composition: C (22.65%), H (2.53%), F (35.83%), N (8.81%), O (30.17%)

Molar Mass: 159.064

Atom Count: 14

Heavy Atom Count: 10

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	159.014327482
Formal Charge	0
FSP3	0.33
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	QPNRUCQPIMAEMH-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	20.82
Topological Polar Surface Area	60.16
Polarizability	7.67
Ring Count	0
Rotatable Bond Count	2

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