1,1-difluoro-4-hydroxy-4-(4-methylphenyl)but-3-en-2-one

1,1-difluoro-4-hydroxy-4-(4-methylphenyl)but-3-en-2-one

CAS: 165328-11-0

Formula: C11H10F2O2

SMILES: CC1=CC=C(C=C1)C(O)=CC(=O)C(F)F

IUPAC: 1,1-difluoro-4-hydroxy-4-(4-methylphenyl)but-3-en-2-one

InChI: InChI=1S/C11H10F2O2/c1-7-2-4-8(5-3-7)9(14)6-10(15)11(12)13/h2-6,11,14H,1H3

Composition: C (62.26%), H (4.75%), F (17.91%), O (15.08%)

Molar Mass: 212.196

Atom Count: 25

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	212.064885888
Formal Charge	0
FSP3	0.18
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	ROMYAGXFDLOFGA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	53.68
Topological Polar Surface Area	37.3
Polarizability	19.39
Ring Count	1
Rotatable Bond Count	3

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