4,4,4-trifluoro-3-(trifluoromethyl)butane-1,3-diol

4,4,4-trifluoro-3-(trifluoromethyl)butane-1,3-diol

CAS: 21379-33-9

Formula: C5H6F6O2

SMILES: OCCC(O)(C(F)(F)F)C(F)(F)F

IUPAC: 4,4,4-trifluoro-3-(trifluoromethyl)butane-1,3-diol

InChI: InChI=1S/C5H6F6O2/c6-4(7,8)3(13,1-2-12)5(9,10)11/h12-13H,1-2H2

Composition: C (28.32%), H (2.85%), F (53.75%), O (15.09%)

Molar Mass: 212.091

Atom Count: 19

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	212.027198411
Formal Charge	0
FSP3	1
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	PYTQULGOMFBQNV-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	29.88
Topological Polar Surface Area	40.46
Polarizability	11.11
Ring Count	0
Rotatable Bond Count	4

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<2 Days	21379-33-9		$51.35-$359.43$51.35$63.37$86.31$225.06$359.43