3-fluoro-4-(trifluoromethoxy)benzaldehyde

3-fluoro-4-(trifluoromethoxy)benzaldehyde

CAS: 473917-15-6

Formula: C8H4F4O2

SMILES: FC1=CC(C=O)=CC=C1OC(F)(F)F

IUPAC: 3-fluoro-4-(trifluoromethoxy)benzaldehyde

InChI: InChI=1S/C8H4F4O2/c9-6-3-5(4-13)1-2-7(6)14-8(10,11)12/h1-4H

Composition: C (46.17%), H (1.94%), F (36.52%), O (15.38%)

Molar Mass: 208.112

Atom Count: 18

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	208.014742021
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	RQLRUBHAAVGRPW-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	35.93
Topological Polar Surface Area	26.3
Polarizability	14.2
Ring Count	1
Rotatable Bond Count	3

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