N-(prop-2-yn-1-yloxy)-2,5-bis(2,2,2-trifluoroethoxy)benzamide

N-(prop-2-yn-1-yloxy)-2,5-bis(2,2,2-trifluoroethoxy)benzamide

CAS: 338395-00-9

Formula: C14H11F6NO4

SMILES: FC(F)(F)COC1=CC(C(=O)NOCC#C)=C(OCC(F)(F)F)C=C1

IUPAC: N-(prop-2-yn-1-yloxy)-2,5-bis(2,2,2-trifluoroethoxy)benzamide

InChI: InChI=1S/C14H11F6NO4/c1-2-5-25-21-12(22)10-6-9(23-7-13(15,16)17)3-4-11(10)24-8-14(18,19)20/h1,3-4,6H,5,7-8H2,(H,21,22)

Composition: C (45.30%), H (2.99%), F (30.71%), N (3.77%), O (17.24%)

Molar Mass: 371.235

Atom Count: 36

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	371.059226816
Formal Charge	0
FSP3	0.36
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	YEZRQGJIPFVUDS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	72.79
Topological Polar Surface Area	56.79
Polarizability	26.32
Ring Count	1
Rotatable Bond Count	9

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