4-[4-(difluoromethoxy)phenyl]-1,1,1-trifluoro-4-hydroxybut-3-en-2-one

4-[4-(difluoromethoxy)phenyl]-1,1,1-trifluoro-4-hydroxybut-3-en-2-one

CAS: 832740-91-7

Formula: C11H7F5O3

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

IUPAC: 4-[4-(difluoromethoxy)phenyl]-1,1,1-trifluoro-4-hydroxybut-3-en-2-one

InChI: InChI=1S/C11H7F5O3/c12-10(13)19-7-3-1-6(2-4-7)8(17)5-9(18)11(14,15)16/h1-5,10,17H

Composition: C (46.82%), H (2.50%), F (33.67%), O (17.01%)

Molar Mass: 282.166

Atom Count: 26

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	282.0315349
Formal Charge	0
FSP3	0.18
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	QISAJNDJMMUAEE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	55.99
Topological Polar Surface Area	46.53
Polarizability	19.97
Ring Count	1
Rotatable Bond Count	5

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