2-(4-fluorophenyl)-5-[(5-iodo-2-methylphenyl)methyl]thiophene

2-(4-fluorophenyl)-5-[(5-iodo-2-methylphenyl)methyl]thiophene

CAS: 898566-17-1

Formula: C18H14FIS

SMILES: CC1=C(CC2=CC=C(S2)C2=CC=C(F)C=C2)C=C(I)C=C1

IUPAC: 2-(4-fluorophenyl)-5-[(5-iodo-2-methylphenyl)methyl]thiophene

InChI: InChI=1S/C18H14FIS/c1-12-2-7-16(20)10-14(12)11-17-8-9-18(21-17)13-3-5-15(19)6-4-13/h2-10H,11H2,1H3

Composition: C (52.95%), H (3.46%), F (4.65%), I (31.08%), S (7.85%)

Molar Mass: 408.27

Atom Count: 35

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	407.98449
Formal Charge	0
FSP3	0.11
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	0
Hydrogen Bond Donor Count	0
InChIKey	MGXZKAYHSITHMW-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	96.38
Topological Polar Surface Area	0
Polarizability	37.67
Ring Count	3
Rotatable Bond Count	3

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