5-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole

5-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole

CAS: 1072009-08-5

Formula: C14H17BFNO2

SMILES: CC1(C)OB(OC1(C)C)C1=C2C=CNC2=CC=C1F

IUPAC: 5-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole

InChI: InChI=1S/C14H17BFNO2/c1-13(2)14(3,4)19-15(18-13)12-9-7-8-17-11(9)6-5-10(12)16/h5-8,17H,1-4H3

Composition: C (64.40%), H (6.56%), B (4.14%), F (7.28%), N (5.36%), O (12.25%)

Molar Mass: 261.1

Atom Count: 36

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	261.133637
Formal Charge	0
FSP3	0.43
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	WDVYWRZQLIGSEN-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	67.02
Topological Polar Surface Area	34.25
Polarizability	28.86
Ring Count	3
Rotatable Bond Count	1

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