2-(2,2,2-trifluoroethyl)aniline

2-(2,2,2-trifluoroethyl)aniline

CAS: 57631-04-6

Formula: C8H8F3N

SMILES: NC1=CC=CC=C1CC(F)(F)F

IUPAC: 2-(2,2,2-trifluoroethyl)aniline

InChI: InChI=1S/C8H8F3N/c9-8(10,11)5-6-3-1-2-4-7(6)12/h1-4H,5,12H2

Composition: C (54.86%), H (4.60%), F (32.54%), N (8.00%)

Molar Mass: 175.154

Atom Count: 20

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	175.060883751
Formal Charge	0
FSP3	0.25
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
InChIKey	OESMBUMMTXSJRB-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	41.18
Topological Polar Surface Area	26.02
Polarizability	14.39
Ring Count	1
Rotatable Bond Count	2

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Key Organics Ltd

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<2 Days	57631-04-6		$51.35-$86.31$51.35$63.37$86.31

J&W PHARMLAB LLC

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<2 Days	57631-04-6		$143.75-$2,070.00$143.75$171.35$227.70$342.70$517.50$2,070.00