1-methoxy-3,5-bis(trifluoromethyl)benzene

1-methoxy-3,5-bis(trifluoromethyl)benzene

CAS: 349-60-0

Formula: C9H6F6O

SMILES: COC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F

IUPAC: 1-methoxy-3,5-bis(trifluoromethyl)benzene

InChI: InChI=1S/C9H6F6O/c1-16-7-3-5(8(10,11)12)2-6(4-7)9(13,14)15/h2-4H,1H3

Composition: C (44.28%), H (2.48%), F (46.69%), O (6.55%)

Molar Mass: 244.136

Atom Count: 22

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	244.032283791
Formal Charge	0
FSP3	0.33
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	HQZFGUOTUIHWLR-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	44.47
Topological Polar Surface Area	9.23
Polarizability	15.72
Ring Count	1
Rotatable Bond Count	3

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