4-(dimethylamino)-2,3,5-trifluorobenzoic acid

4-(dimethylamino)-2,3,5-trifluorobenzoic acid

CAS: 1309602-70-7

Formula: C9H8F3NO2

SMILES: CN(C)C1=C(F)C(F)=C(C=C1F)C(O)=O

IUPAC: 4-(dimethylamino)-2,3,5-trifluorobenzoic acid

InChI: InChI=1S/C9H8F3NO2/c1-13(2)8-5(10)3-4(9(14)15)6(11)7(8)12/h3H,1-2H3,(H,14,15)

Composition: C (49.32%), H (3.68%), F (26.01%), N (6.39%), O (14.60%)

Molar Mass: 219.163

Atom Count: 23

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	219.050712991
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	YUKZKWNIHYGTMV-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	48.39
Topological Polar Surface Area	40.54
Polarizability	16.91
Ring Count	1
Rotatable Bond Count	2

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