4-(4-benzylpiperazin-1-yl)-1,1,1-trifluorobut-3-en-2-ol

4-(4-benzylpiperazin-1-yl)-1,1,1-trifluorobut-3-en-2-ol

CAS: 478047-18-6

Formula: C15H19F3N2O

SMILES: OC(C=CN1CCN(CC2=CC=CC=C2)CC1)C(F)(F)F

IUPAC: 4-(4-benzylpiperazin-1-yl)-1,1,1-trifluorobut-3-en-2-ol

InChI: InChI=1/C15H19F3N2O/c16-15(17,18)14(21)6-7-19-8-10-20(11-9-19)12-13-4-2-1-3-5-13/h1-7,14,21H,8-12H2

Composition: C (59.99%), H (6.38%), F (18.98%), N (9.33%), O (5.33%)

Molar Mass: 300.325

Atom Count: 40

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	300.144947729
Formal Charge	0
FSP3	0.47
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	BPIIBLHCDJCUMX-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	76.91
Topological Polar Surface Area	26.71
Polarizability	28.41
Ring Count	2
Rotatable Bond Count	5

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Purity	LeadTime	CAS	PacketSize	UnitPrice
90%	<2 Days	478047-18-6		$51.35-$524.40$51.35$63.37$86.31$524.40