1,1,1-trifluoro-4-hydroxyhex-3-en-2-one

1,1,1-trifluoro-4-hydroxyhex-3-en-2-one

CAS: 400-54-4

Formula: C6H7F3O2

SMILES: CCC(O)=CC(=O)C(F)(F)F

IUPAC: 1,1,1-trifluoro-4-hydroxyhex-3-en-2-one

InChI: InChI=1S/C6H7F3O2/c1-2-4(10)3-5(11)6(7,8)9/h3,10H,2H2,1H3

Composition: C (42.87%), H (4.20%), F (33.90%), O (19.03%)

Molar Mass: 168.115

Atom Count: 18

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	168.039813954
Formal Charge	0
FSP3	0.5
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	XSHHGKISOFCVQD-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	34.17
Topological Polar Surface Area	37.3
Polarizability	11.88
Ring Count	0
Rotatable Bond Count	3

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<14 Days	400-54-4		$170.10-$637.88$170.10$637.88