4-(2,2,2-trifluoroacetamido)butanoic acid

4-(2,2,2-trifluoroacetamido)butanoic acid

CAS: 50632-83-2

Formula: C6H8F3NO3

SMILES: OC(=O)CCCNC(=O)C(F)(F)F

IUPAC: 4-(2,2,2-trifluoroacetamido)butanoic acid

InChI: InChI=1S/C6H8F3NO3/c7-6(8,9)5(13)10-3-1-2-4(11)12/h1-3H2,(H,10,13)(H,11,12)

Composition: C (36.19%), H (4.05%), F (28.62%), N (7.03%), O (24.10%)

Molar Mass: 199.129

Atom Count: 21

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	199.045627611
Formal Charge	0
FSP3	0.67
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	KTYYDHOWWCVUQJ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	35.91
Topological Polar Surface Area	66.4
Polarizability	13.42
Ring Count	0
Rotatable Bond Count	5

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