2-[(tert-butoxycarbonyl)amino]-4,4,4-trifluorobutanoic acid

2-[(tert-butoxycarbonyl)amino]-4,4,4-trifluorobutanoic acid

CAS: 544479-61-0

Formula: C9H14F3NO4

SMILES: CC(C)(C)OC(=O)NC(CC(F)(F)F)C(O)=O

IUPAC: 2-{[(tert-butoxy)carbonyl]amino}-4,4,4-trifluorobutanoic acid

InChI: InChI=1/C9H14F3NO4/c1-8(2,3)17-7(16)13-5(6(14)15)4-9(10,11)12/h5H,4H2,1-3H3,(H,13,16)(H,14,15)

Composition: C (42.03%), H (5.49%), F (22.16%), N (5.45%), O (24.88%)

Molar Mass: 257.209

Atom Count: 31

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	257.087492424
Formal Charge	0
FSP3	0.78
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	UCUKFQMRNHNNQY-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	50.52
Topological Polar Surface Area	75.63
Polarizability	19.49
Ring Count	0
Rotatable Bond Count	6

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