4,4,4-trifluorobut-2-en-1-ol

4,4,4-trifluorobut-2-en-1-ol

CAS: 674-53-3

Formula: C4H5F3O

SMILES: OCC=CC(F)(F)F

IUPAC: 4,4,4-trifluorobut-2-en-1-ol

InChI: InChI=1S/C4H5F3O/c5-4(6,7)2-1-3-8/h1-2,8H,3H2

Composition: C (38.11%), H (4.00%), F (45.21%), O (12.69%)

Molar Mass: 126.078

Atom Count: 13

Heavy Atom Count: 8

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	126.02924927
Formal Charge	0
FSP3	0.5
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
InChIKey	UUTWQLLIVDODPQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	24.03
Topological Polar Surface Area	20.23
Polarizability	8.14
Ring Count	0
Rotatable Bond Count	2

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