7-chloro-4-(trifluoromethyl)-1H-indole

7-chloro-4-(trifluoromethyl)-1H-indole

CAS: 1167055-96-0

Formula: C9H5ClF3N

SMILES: FC(F)(F)C1=C2C=CNC2=C(Cl)C=C1

IUPAC: 7-chloro-4-(trifluoromethyl)-1H-indole

InChI: InChI=1S/C9H5ClF3N/c10-7-2-1-6(9(11,12)13)5-3-4-14-8(5)7/h1-4,14H

Composition: C (49.23%), H (2.30%), Cl (16.14%), F (25.96%), N (6.38%)

Molar Mass: 219.59

Atom Count: 19

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	219.0062614
Formal Charge	0
FSP3	0.11
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	0
Hydrogen Bond Donor Count	1
InChIKey	NYDLNXXLHYNGNZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	47.92
Topological Polar Surface Area	15.79
Polarizability	18.51
Ring Count	2
Rotatable Bond Count	1

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