3-chloro-4-cyclopropyl-1,1,1-trifluoro-4-hydroxybut-3-en-2-one

3-chloro-4-cyclopropyl-1,1,1-trifluoro-4-hydroxybut-3-en-2-one

CAS: 886494-04-8

Formula: C7H6ClF3O2

SMILES: OC(C1CC1)=C(Cl)C(=O)C(F)(F)F

IUPAC: 3-chloro-4-cyclopropyl-1,1,1-trifluoro-4-hydroxybut-3-en-2-one

InChI: InChI=1S/C7H6ClF3O2/c8-4(5(12)3-1-2-3)6(13)7(9,10)11/h3,12H,1-2H2

Composition: C (39.18%), H (2.82%), Cl (16.52%), F (26.56%), O (14.91%)

Molar Mass: 214.57

Atom Count: 19

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	214.0008416
Formal Charge	0
FSP3	0.57
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	OZJHGFMKVBCDSJ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	41.63
Topological Polar Surface Area	37.3
Polarizability	14.97
Ring Count	1
Rotatable Bond Count	3

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<7 Days	886494-04-8		$254.80$254.80